ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

38590476

Analogs

38590478
38590676
38590680
38591972
38591976

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6,8-dimethyl-1-phenyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-6,8-dimethyl-1-phenyl-2-(3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	12.2	-12.44	0	5	0	63	396.446	3	↓ MOL2 SDF SMILES Flexibase

38590478

Analogs

38590676
38590680
38591972
38591976
38590476

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6,8-dimethyl-1-phenyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-6,8-dimethyl-1-phenyl-2-(3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	11.37	-12.08	0	5	0	63	396.446	3	↓ MOL2 SDF SMILES Flexibase

38590584

Analogs

38590586

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-chlorophenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.48	12.72	-12.33	0	5	0	63	430.891	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.48	13.19	-40.16	1	5	1	65	431.899	3	↓ MOL2 SDF SMILES Flexibase

38590586

Analogs

38590584

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-chlorophenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.48	11.88	-11.38	0	5	0	63	430.891	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.48	12.35	-38.16	1	5	1	65	431.899	3	↓ MOL2 SDF SMILES Flexibase

38590676

Analogs

38590680
38591972
38591976
38590476
38590478

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6,8-dimethyl-1-(p-tolyl)-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-6,8-dimethyl-1-(p-tolyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	12.05	-11.97	0	5	0	63	410.473	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.25	12.52	-37.83	1	5	1	65	411.481	3	↓ MOL2 SDF SMILES Flexibase

38590680

Analogs

38591972
38591976
38590476
38590478
38590676

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6,8-dimethyl-1-(p-tolyl)-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-6,8-dimethyl-1-(p-tolyl)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	12.86	-12.41	0	5	0	63	410.473	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.25	13.33	-38.58	1	5	1	65	411.481	3	↓ MOL2 SDF SMILES Flexibase

38590911

Analogs

38590915

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-fluorophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-fluorophenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	12.27	-12.86	0	5	0	63	414.436	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.96	12.74	-40.9	1	5	1	65	415.444	3	↓ MOL2 SDF SMILES Flexibase

38590915

Analogs

38590911

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-fluorophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-fluorophenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	11.43	-11.87	0	5	0	63	414.436	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.96	11.9	-38.66	1	5	1	65	415.444	3	↓ MOL2 SDF SMILES Flexibase

38591048

Analogs

38591051

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3,4-dichlorophenyl)-6,8-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.08	13.17	-12.17	0	5	0	63	465.336	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.08	13.64	-40.93	1	5	1	65	466.344	3	↓ MOL2 SDF SMILES Flexibase

38591051

Analogs

38591048

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dichlorophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3,4-dichlorophenyl)-6,8-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.08	12.33	-10.65	0	5	0	63	465.336	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.08	12.8	-40.58	1	5	1	65	466.344	3	↓ MOL2 SDF SMILES Flexibase

38591156

Analogs

38591159

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-bromophenyl)-6,8-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.61	12.83	-12.32	0	5	0	63	475.342	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.61	13.29	-40.2	1	5	1	65	476.35	3	↓ MOL2 SDF SMILES Flexibase

38591159

Analogs

38591156

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-bromophenyl)-6,8-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.61	11.99	-11.24	0	5	0	63	475.342	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.61	12.46	-38.05	1	5	1	65	476.35	3	↓ MOL2 SDF SMILES Flexibase

38591254

Analogs

38591257
38592784
38592786
38594062
38594092

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methoxy-4-pentoxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-d (1R)-1-(3-methoxy-4-pentoxy-phen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.39	13.86	-13.13	0	7	0	82	512.606	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.39	14.33	-42.89	1	7	1	83	513.614	9	↓ MOL2 SDF SMILES Flexibase

38591257

Analogs

38592784
38592786
38594062
38594092
38594093

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methoxy-4-pentoxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-d (1S)-1-(3-methoxy-4-pentoxy-phen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.39	14.67	-14.79	0	7	0	82	512.606	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.39	15.14	-42.85	1	7	1	83	513.614	9	↓ MOL2 SDF SMILES Flexibase

38591338

Analogs

38591340

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-ethoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-ethoxyphenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	11.6	-12.65	0	6	0	73	440.499	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.23	12.06	-37.2	1	6	1	74	441.507	5	↓ MOL2 SDF SMILES Flexibase

38591340

Analogs

38591338

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-ethoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-ethoxyphenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	12.41	-13.62	0	6	0	73	440.499	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.23	12.87	-40.52	1	6	1	74	441.507	5	↓ MOL2 SDF SMILES Flexibase

38591425

Analogs

38591429
38593829
38593831

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-ethoxy-3-methoxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1R)-1-(4-ethoxy-3-methoxy-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	11.5	-13.48	0	7	0	82	470.525	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.82	11.96	-42.56	1	7	1	83	471.533	6	↓ MOL2 SDF SMILES Flexibase

38591429

Analogs

38593829
38593831
38591425

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-ethoxy-3-methoxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1S)-1-(4-ethoxy-3-methoxy-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	12.31	-15.2	0	7	0	82	470.525	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.82	12.78	-43.19	1	7	1	83	471.533	6	↓ MOL2 SDF SMILES Flexibase

38591563

Analogs

38591567
38594278
38594280

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-tert-butylphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-tert-butylphenyl)-6,8-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.51	14.52	-12.04	0	5	0	63	452.554	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.51	14.99	-38.42	1	5	1	65	453.562	4	↓ MOL2 SDF SMILES Flexibase

38591567

Analogs

38594278
38594280
38591563

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-tert-butylphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-tert-butylphenyl)-6,8-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.51	13.63	-11.44	0	5	0	63	452.554	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.51	14.1	-38.66	1	5	1	65	453.562	4	↓ MOL2 SDF SMILES Flexibase

38591682

Analogs

38591686
38591771
38591774

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3,4-dimethoxyphenyl)-6,8…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	11.41	-15.31	0	7	0	82	456.498	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.45	11.87	-43.18	1	7	1	83	457.506	5	↓ MOL2 SDF SMILES Flexibase

38591686

Analogs

38591771
38591774
38591682

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3,4-dimethoxyphenyl)-6,8…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	10.57	-13.64	0	7	0	82	456.498	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.45	11.04	-42.61	1	7	1	83	457.506	5	↓ MOL2 SDF SMILES Flexibase

38591771

Analogs

38591774
38591682
38591686

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-hydroxy-3-methoxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-d (1S)-1-(4-hydroxy-3-methoxy-phen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	9.34	-14.69	1	7	0	93	442.471	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.14	9.81	-42.41	2	7	1	94	443.479	4	↓ MOL2 SDF SMILES Flexibase

38591774

Analogs

38591682
38591686
38591771

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-hydroxy-3-methoxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-d (1R)-1-(4-hydroxy-3-methoxy-phen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	8.5	-14.52	1	7	0	93	442.471	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.14	8.97	-42.4	2	7	1	94	443.479	4	↓ MOL2 SDF SMILES Flexibase

38591862

Analogs

38591864
38593829
38593831

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-ethoxy-4-hydroxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1R)-1-(3-ethoxy-4-hydroxy-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	9.42	-12.82	1	7	0	93	456.498	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.52	9.89	-39.39	2	7	1	94	457.506	5	↓ MOL2 SDF SMILES Flexibase

38591864

Analogs

38593829
38593831
38591862

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-ethoxy-4-hydroxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1S)-1-(3-ethoxy-4-hydroxy-pheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	10.24	-15.35	1	7	0	93	456.498	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.52	10.71	-43.87	2	7	1	94	457.506	5	↓ MOL2 SDF SMILES Flexibase

38591972

Analogs

38591976
38590476
38590478
38590676
38590680

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-ethylphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-ethylphenyl)-6,8-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.71	12.71	-11.7	0	5	0	63	424.5	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.71	13.18	-38.05	1	5	1	65	425.508	4	↓ MOL2 SDF SMILES Flexibase

38591976

Analogs

38590476
38590478
38590676
38590680

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-ethylphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-ethylphenyl)-6,8-dimet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.71	13.61	-12.28	0	5	0	63	424.5	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.71	14.08	-38.54	1	5	1	65	425.508	4	↓ MOL2 SDF SMILES Flexibase

38592113

Analogs

38596062

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6,8-dimethyl-2-(3-pyridylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-6,8-dimethyl-2-(3-pyridylme…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	11.33	-16	0	8	0	91	486.524	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.43	11.79	-45.12	1	8	1	92	487.532	6	↓ MOL2 SDF SMILES Flexibase

38592279

Analogs

38592282

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-methoxyphenyl)-6,8-dim…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	11.5	-13.11	0	6	0	73	426.472	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.83	11.97	-39.34	1	6	1	74	427.48	4	↓ MOL2 SDF SMILES Flexibase

38592282

Analogs

38592279

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-methoxyphenyl)-6,8-dim…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	10.67	-12.5	0	6	0	73	426.472	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.83	11.14	-40.48	1	6	1	74	427.48	4	↓ MOL2 SDF SMILES Flexibase

38592491

Analogs

38592493
38592969
38592971
38596065
38596067

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-butoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-butoxyphenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.29	13.18	-12.39	0	6	0	73	468.553	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.29	13.64	-37.12	1	6	1	74	469.561	7	↓ MOL2 SDF SMILES Flexibase

38592493

Analogs

38592969
38592971
38596065
38596067
38592491

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-butoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-butoxyphenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.29	13.99	-13.35	0	6	0	73	468.553	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.29	14.45	-40.37	1	6	1	74	469.561	7	↓ MOL2 SDF SMILES Flexibase

38592604

Analogs

38592607

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-allyloxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-allyloxyphenyl)-6,8-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.50	13.01	-13.54	0	6	0	73	452.51	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.50	13.48	-40.54	1	6	1	74	453.518	6	↓ MOL2 SDF SMILES Flexibase

38592607

Analogs

38592604

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-allyloxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-allyloxyphenyl)-6,8-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.50	12.17	-12.63	0	6	0	73	452.51	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.50	12.64	-37.36	1	6	1	74	453.518	6	↓ MOL2 SDF SMILES Flexibase

38592784

Analogs

38592786
38594062
38594128
38594130
40513284

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isopentyloxy-3-methoxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole- (1S)-1-(4-isopentyloxy-3-methoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.10	14.43	-14.65	0	7	0	82	512.606	8	↓ MOL2 SDF SMILES Flexibase

38592786

Analogs

38594062
38594064
38594128
38594130
40513284

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-isopentyloxy-3-methoxy-phenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole- (1R)-1-(4-isopentyloxy-3-methoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.10	13.59	-13.04	0	7	0	82	512.606	8	↓ MOL2 SDF SMILES Flexibase

38592969

Analogs

38592971
38594201
38594203
38592491
38592493

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6,8-dimethyl-1-(4-pentoxyphenyl)-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-6,8-dimethyl-1-(4-pentoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.80	13.95	-12.33	0	6	0	73	482.58	8	↓ MOL2 SDF SMILES Flexibase

38592971

Analogs

38594201
38594203
38592491
38592493
38592969

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6,8-dimethyl-1-(4-pentoxyphenyl)-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-6,8-dimethyl-1-(4-pentoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.80	14.77	-13.25	0	6	0	73	482.58	8	↓ MOL2 SDF SMILES Flexibase

38593103

Analogs

38593105

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-methoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-methoxyphenyl)-6,8-dim…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	11.5	-13.73	0	6	0	73	426.472	4	↓ MOL2 SDF SMILES Flexibase

38593105

Analogs

38593103

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-methoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-methoxyphenyl)-6,8-dim…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	10.66	-12.74	0	6	0	73	426.472	4	↓ MOL2 SDF SMILES Flexibase

38593250

Analogs

38593252

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-chlorophenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	12.71	-11.87	0	5	0	63	430.891	3	↓ MOL2 SDF SMILES Flexibase

38593252

Analogs

38593250

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-chlorophenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	11.88	-11.1	0	5	0	63	430.891	3	↓ MOL2 SDF SMILES Flexibase

38593345

Analogs

38593346
38593473
38593475

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6,8-dimethyl-1-(3-propoxyphenyl)-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-6,8-dimethyl-1-(3-propoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.71	12.4	-12.09	0	6	0	73	454.526	6	↓ MOL2 SDF SMILES Flexibase

38593346

Analogs

38593473
38593475
38593345

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6,8-dimethyl-1-(3-propoxyphenyl)-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-6,8-dimethyl-1-(3-propoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.71	13.21	-12.75	0	6	0	73	454.526	6	↓ MOL2 SDF SMILES Flexibase

38593401

Analogs

38593404

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-allyloxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-allyloxyphenyl)-6,8-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.48	13.01	-13	0	6	0	73	452.51	6	↓ MOL2 SDF SMILES Flexibase

38593404

Analogs

38593401

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-allyloxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-allyloxyphenyl)-6,8-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.48	12.18	-12.3	0	6	0	73	452.51	6	↓ MOL2 SDF SMILES Flexibase

38593473

Analogs

38593475
38593670
38593671
38596129
38596132

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-butoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-butoxyphenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.27	13.18	-12.07	0	6	0	73	468.553	7	↓ MOL2 SDF SMILES Flexibase

38593475

Analogs

38593670
38593671
38596129
38596132
38593345

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-butoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-butoxyphenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.27	13.99	-12.71	0	6	0	73	468.553	7	↓ MOL2 SDF SMILES Flexibase

38593549

Analogs

38596123

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-ethoxyphenyl)-6,8-dimethyl-2-(3-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-ethoxyphenyl)-6,8-dime…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	11.6	-12.36	0	6	0	73	440.499	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.21	12.06	-40.3	1	6	1	74	441.507	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 594459
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 594459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=594459&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "594459"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations