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

38730480

Analogs

38730483
38730485
38730488
40046027
2417735

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-phenyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-1-phenyl-2-thiazol-…

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	11.56	-10.26	0	5	0	63	388.448	3	↓ MOL2 SDF SMILES Flexibase

38730483

Analogs

38730485
38730488
40046027
38730480
2417735

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-phenyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-1-phenyl-2-thiazol-…

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	11.55	-10.2	0	5	0	63	388.448	3	↓ MOL2 SDF SMILES Flexibase

38730485

Analogs

38730488
40046027
40046028
38730480
38730483

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(p-tolyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-1-(p-tolyl)-2-thiaz…

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)	4.93	12.24	-10.3	0	5	0	63	402.475	3	↓ MOL2 SDF SMILES Flexibase

38730488

Analogs

40046027
40046028
38730480
38730483
38730485

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(p-tolyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-1-(p-tolyl)-2-thiaz…

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)	4.93	12.23	-10.28	0	5	0	63	402.475	3	↓ MOL2 SDF SMILES Flexibase

38730491

Analogs

38730494
38730496
38730499
2408998
2426166

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(4-isopropylphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-1-(4-isopropylpheny…

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)	5.99	13.49	-9.95	0	5	0	63	430.529	4	↓ MOL2 SDF SMILES Flexibase

38730494

Analogs

38730496
38730499
38730491
2408998
2426166

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(4-isopropylphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-1-(4-isopropylpheny…

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)	5.99	13.48	-9.92	0	5	0	63	430.529	4	↓ MOL2 SDF SMILES Flexibase

38730496

Analogs

38730499
38730491
38730494
2408998

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-tert-butylphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-tert-butylphenyl)-7-et…

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)	6.19	13.88	-9.85	0	5	0	63	444.556	4	↓ MOL2 SDF SMILES Flexibase

38730499

Analogs

38730491
38730494
38730496
2408998

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-tert-butylphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-tert-butylphenyl)-7-et…

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)	6.19	13.88	-9.81	0	5	0	63	444.556	4	↓ MOL2 SDF SMILES Flexibase

38730574

Analogs

38730577
2414976
2414977

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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)	4.65	12.2	-12.35	0	7	0	90	446.484	5	↓ MOL2 SDF SMILES Flexibase

38730577

Analogs

38730574
2414976
2414977

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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)	4.65	12.2	-12.13	0	7	0	90	446.484	5	↓ MOL2 SDF SMILES Flexibase

38730579

Analogs

38730581
2418376
2418377

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(2-methoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-1-(2-methoxyphenyl)…

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)	4.49	11.88	-11.01	0	6	0	73	418.474	4	↓ MOL2 SDF SMILES Flexibase

38730581

Analogs

38730579
2418376
2418377

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(2-methoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-1-(2-methoxyphenyl)…

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)	4.49	11.89	-11.43	0	6	0	73	418.474	4	↓ MOL2 SDF SMILES Flexibase

38730583

Analogs

38730587
40046149
2413882
2413883

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(3-methoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-1-(3-methoxyphenyl)…

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)	4.51	10.86	-11.8	0	6	0	73	418.474	4	↓ MOL2 SDF SMILES Flexibase

38730587

Analogs

40046149
38730583
2413882
2413883

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(3-methoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-1-(3-methoxyphenyl)…

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)	4.51	10.85	-11.91	0	6	0	73	418.474	4	↓ MOL2 SDF SMILES Flexibase

38730591

Analogs

38730595
2422695
2422696

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-ethoxyphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-ethoxyphenyl)-7-ethyl-…

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)	4.89	11.78	-11.66	0	6	0	73	432.501	5	↓ MOL2 SDF SMILES Flexibase

38730595

Analogs

38730591
2422695

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-ethoxyphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-ethoxyphenyl)-7-ethyl-…

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)	4.89	11.78	-11.7	0	6	0	73	432.501	5	↓ MOL2 SDF SMILES Flexibase

38730598

Analogs

38730601
8827399
8827400

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-allyloxyphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-allyloxyphenyl)-7-ethy…

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)	5.16	12.38	-11.68	0	6	0	73	444.512	6	↓ MOL2 SDF SMILES Flexibase

38730601

Analogs

38730598
8827399
8827400

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-allyloxyphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-allyloxyphenyl)-7-ethy…

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)	5.16	12.37	-11.72	0	6	0	73	444.512	6	↓ MOL2 SDF SMILES Flexibase

38730604

Analogs

38730608
40046181
40046182
40046203
40046204

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(3-propoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-1-(3-propoxyphenyl)…

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	12.57	-11.45	0	6	0	73	446.528	6	↓ MOL2 SDF SMILES Flexibase

38730608

Analogs

40046181
40046182
40046203
40046204
38730604

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(3-propoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-1-(3-propoxyphenyl)…

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	12.57	-11.42	0	6	0	73	446.528	6	↓ MOL2 SDF SMILES Flexibase

38730612

Analogs

38730615

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(3-isopropoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-1-(3-isopropoxyphen…

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)	5.25	12.41	-11.56	0	6	0	73	446.528	5	↓ MOL2 SDF SMILES Flexibase

38730615

Analogs

38730612

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(3-isopropoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-1-(3-isopropoxyphen…

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)	5.25	12.4	-10.56	0	6	0	73	446.528	5	↓ MOL2 SDF SMILES Flexibase

38730618

Analogs

38730621
40045953
5215605
5215607

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(4-methoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-1-(4-methoxyphenyl)…

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)	4.54	10.86	-11.03	0	6	0	73	418.474	4	↓ MOL2 SDF SMILES Flexibase

38730621

Analogs

40045953
38730618
5215605
5215607

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(4-methoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-1-(4-methoxyphenyl)…

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)	4.54	10.85	-10.92	0	6	0	73	418.474	4	↓ MOL2 SDF SMILES Flexibase

38730624

Analogs

38730627

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-ethoxyphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-ethoxyphenyl)-7-ethyl-…

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)	4.91	11.78	-10.88	0	6	0	73	432.501	5	↓ MOL2 SDF SMILES Flexibase

38730627

Analogs

2400368

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-ethoxyphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-ethoxyphenyl)-7-ethyl-…

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)	4.91	11.78	-10.72	0	6	0	73	432.501	5	↓ MOL2 SDF SMILES Flexibase

38730629

Analogs

38730632
2399701
2399702

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-allyloxyphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-allyloxyphenyl)-7-ethy…

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)	5.18	12.37	-10.86	0	6	0	73	444.512	6	↓ MOL2 SDF SMILES Flexibase

38730632

Analogs

38730629
2399701
2399702

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-allyloxyphenyl)-7-ethyl-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-allyloxyphenyl)-7-ethy…

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)	5.18	12.36	-10.72	0	6	0	73	444.512	6	↓ MOL2 SDF SMILES Flexibase

38730736

Analogs

38730738
38730744
40046029
40046030
2398263

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(p-tolyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(4,5-dimethylthiazol-2-yl…

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)	5.37	13.59	-10.89	0	5	0	63	430.529	3	↓ MOL2 SDF SMILES Flexibase

38730738

Analogs

38730744
40046029
40046030
38730736
2398263

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(p-tolyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(4,5-dimethylthiazol-2-yl…

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)	5.37	13.57	-10.84	0	5	0	63	430.529	3	↓ MOL2 SDF SMILES Flexibase

38730740

Analogs

38730742
38730743
38730744
2210464
2210465

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(4-isopropylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(4,5-dimethylthiazol-2-yl…

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)	6.43	14.84	-10.48	0	5	0	63	458.583	4	↓ MOL2 SDF SMILES Flexibase

38730742

Analogs

38730743
38730744
38730740
2210464
2210465

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(4-isopropylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(4,5-dimethylthiazol-2-yl…

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)	6.43	14.83	-10.41	0	5	0	63	458.583	4	↓ MOL2 SDF SMILES Flexibase

38730743

Analogs

38730744
38730740
38730742

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-tert-butylphenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-tert-butylphenyl)-2-(4…

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)	6.63	15.24	-10.46	0	5	0	63	472.61	4	↓ MOL2 SDF SMILES Flexibase

38730744

Analogs

38730736
38730738
38730740
38730742
2210464

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-tert-butylphenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-tert-butylphenyl)-2-(4…

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)	6.63	15.22	-10.45	0	5	0	63	472.61	4	↓ MOL2 SDF SMILES Flexibase

38730798

Analogs

38730800
2408138
2408139

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-chlorophenyl)-2-(4,5-d…

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)	5.60	13.43	-9.58	0	5	0	63	450.947	3	↓ MOL2 SDF SMILES Flexibase

38730800

Analogs

38730798
2408138
2408139

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-chlorophenyl)-2-(4,5-d…

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)	5.60	13.42	-9.51	0	5	0	63	450.947	3	↓ MOL2 SDF SMILES Flexibase

38730802

Analogs

38730804
40562109
2431624
2431626

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dichlorophenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3,4-dichlorophenyl)-2-(4…

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)	6.21	13.88	-9.19	0	5	0	63	485.392	3	↓ MOL2 SDF SMILES Flexibase

38730804

Analogs

40562109
38730802
2431624
2431626

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3,4-dichlorophenyl)-2-(4…

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)	6.21	13.86	-9.19	0	5	0	63	485.392	3	↓ MOL2 SDF SMILES Flexibase

38730806

Analogs

38730808
2431866
2431869

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-bromophenyl)-2-(4,5-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)	5.71	13.53	-9.93	0	5	0	63	495.398	3	↓ MOL2 SDF SMILES Flexibase

38730808

Analogs

38730806
2431866
2431869

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-bromophenyl)-2-(4,5-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)	5.71	13.51	-10.03	0	5	0	63	495.398	3	↓ MOL2 SDF SMILES Flexibase

38730810

Analogs

38730812
2424077
2424078

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(4-bromophenyl)-2-(4,5-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)	5.73	13.54	-9.52	0	5	0	63	495.398	3	↓ MOL2 SDF SMILES Flexibase

38730812

Analogs

38730810
2424077
2424078

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(4-bromophenyl)-2-(4,5-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)	5.73	13.52	-9.45	0	5	0	63	495.398	3	↓ MOL2 SDF SMILES Flexibase

38730813

Analogs

38730815
8827405
8827406

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(4,5-dimethylthiazol-2-yl…

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)	4.86	13.62	-12.59	0	8	0	109	461.499	4	↓ MOL2 SDF SMILES Flexibase

38730815

Analogs

38730813
8827405

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(4,5-dimethylthiazol-2-yl…

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)	4.86	13.6	-12.86	0	8	0	109	461.499	4	↓ MOL2 SDF SMILES Flexibase

38730858

Analogs

38730861
40562129
2435730
2435731

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-allyloxyphenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-1-(3-allyloxyphenyl)-2-(4,5…

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)	5.60	13.72	-12.04	0	6	0	73	472.566	6	↓ MOL2 SDF SMILES Flexibase

38730861

Analogs

40562129
38730858
2435730
2435731

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-allyloxyphenyl)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-1-(3-allyloxyphenyl)-2-(4,5…

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)	5.60	13.7	-12.27	0	6	0	73	472.566	6	↓ MOL2 SDF SMILES Flexibase

38730864

Analogs

38730867
40046205
40046206
40046209
40046210

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(4,5-dimethylthiazol-2-yl…

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)	5.83	13.93	-11.95	0	6	0	73	474.582	6	↓ MOL2 SDF SMILES Flexibase

38730867

Analogs

40046205
40046206
40046209
40046210
38730864

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(4,5-dimethylthiazol-2-yl…

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)	5.83	13.92	-11.89	0	6	0	73	474.582	6	↓ MOL2 SDF SMILES Flexibase

38730870

Analogs

38730873
40562129
40562131
2408311
2408312

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(3-isopropoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(4,5-dimethylthiazol-2-yl…

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)	5.69	13.76	-12.09	0	6	0	73	474.582	5	↓ MOL2 SDF SMILES Flexibase

38730873

Analogs

40562129
40562131
38730870
2408311
2408312

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4,5-dimethylthiazol-2-yl)-7-ethyl-1-(3-isopropoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(4,5-dimethylthiazol-2-yl…

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)	5.69	13.75	-11.12	0	6	0	73	474.582	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 597714
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 = 597714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=597714&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": "597714"        

    });
</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