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

41706260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-(2-thienylmethyl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(2-thienylmethyl)-6,7…

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)	2.91	8.99	-12.53	0	2	0	22	245.347	2	↓ MOL2 SDF SMILES Flexibase

41706263

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-thienylmethyl)-6,7-dihydro-5H-indol-4-one 1-(2-thienylmethyl)-6,7-dihydro-…

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)	2.69	8.63	-11.4	0	2	0	22	231.32	2	↓ MOL2 SDF SMILES Flexibase

41706266

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-(2-thienylmethyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(2-thienylmeth…

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	9.91	-11.99	0	2	0	22	273.401	2	↓ MOL2 SDF SMILES Flexibase

41706269

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-(2-thienylmethyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(2-thienylmethyl)…

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)	3.57	9.55	-10.86	0	2	0	22	259.374	2	↓ MOL2 SDF SMILES Flexibase

41706552

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1S)-1-(2-thienyl)ethyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S)-1-(2-thienyl)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)	3.27	9.11	-10.49	0	2	0	22	259.374	2	↓ MOL2 SDF SMILES Flexibase

41706554

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1R)-1-(2-thienyl)ethyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R)-1-(2-thienyl)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)	3.27	9.17	-11.69	0	2	0	22	259.374	2	↓ MOL2 SDF SMILES Flexibase

41706557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2-thienyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2-thienyl)ethyl]-6,7-…

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)	3.05	8.99	-11.99	0	2	0	22	245.347	2	↓ MOL2 SDF SMILES Flexibase

41706560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2-thienyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2-thienyl)ethyl]-6,7-…

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)	3.05	8.99	-11.84	0	2	0	22	245.347	2	↓ MOL2 SDF SMILES Flexibase

41706563

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[(1S)-1-(2-thienyl)ethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1S)-1-(2-thi…

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)	4.16	10.03	-10.06	0	2	0	22	287.428	2	↓ MOL2 SDF SMILES Flexibase

41706566

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[(1R)-1-(2-thienyl)ethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1R)-1-(2-thi…

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)	4.16	10.09	-11.07	0	2	0	22	287.428	2	↓ MOL2 SDF SMILES Flexibase

41706569

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1S)-1-(2-thienyl)ethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S)-1-(2-thieny…

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)	3.94	9.92	-11.39	0	2	0	22	273.401	2	↓ MOL2 SDF SMILES Flexibase

41706573

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1R)-1-(2-thienyl)ethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R)-1-(2-thieny…

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)	3.94	9.91	-11.17	0	2	0	22	273.401	2	↓ MOL2 SDF SMILES Flexibase

41707269

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1S)-1-(2-thienyl)propyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S)-1-(2-thienyl)pr…

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)	3.77	9.8	-10.28	0	2	0	22	273.401	3	↓ MOL2 SDF SMILES Flexibase

41707272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1R)-1-(2-thienyl)propyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R)-1-(2-thienyl)pr…

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)	3.77	9.99	-11.49	0	2	0	22	273.401	3	↓ MOL2 SDF SMILES Flexibase

41707275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2-thienyl)propyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2-thienyl)propyl]-6,7…

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)	3.55	9.69	-11.56	0	2	0	22	259.374	3	↓ MOL2 SDF SMILES Flexibase

41707278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2-thienyl)propyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2-thienyl)propyl]-6,7…

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)	3.55	9.9	-11.52	0	2	0	22	259.374	3	↓ MOL2 SDF SMILES Flexibase

41707281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[(1S)-1-(2-thienyl)propyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1S)-1-(2-thi…

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)	4.66	10.72	-9.81	0	2	0	22	301.455	3	↓ MOL2 SDF SMILES Flexibase

41707284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[(1R)-1-(2-thienyl)propyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1R)-1-(2-thi…

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)	4.66	10.91	-10.79	0	2	0	22	301.455	3	↓ MOL2 SDF SMILES Flexibase

41707286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1S)-1-(2-thienyl)propyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S)-1-(2-thieny…

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)	4.44	10.61	-10.96	0	2	0	22	287.428	3	↓ MOL2 SDF SMILES Flexibase

41707289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1R)-1-(2-thienyl)propyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R)-1-(2-thieny…

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)	4.44	10.83	-10.86	0	2	0	22	287.428	3	↓ MOL2 SDF SMILES Flexibase

41707301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1S)-1-(2-thienyl)butyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S)-1-(2-thienyl)bu…

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)	4.33	10.58	-10.11	0	2	0	22	287.428	4	↓ MOL2 SDF SMILES Flexibase

41707303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1R)-1-(2-thienyl)butyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R)-1-(2-thienyl)bu…

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)	4.33	10.76	-11.4	0	2	0	22	287.428	4	↓ MOL2 SDF SMILES Flexibase

41707306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2-thienyl)butyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2-thienyl)butyl]-6,7-…

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)	4.11	10.47	-11.51	0	2	0	22	273.401	4	↓ MOL2 SDF SMILES Flexibase

41707309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2-thienyl)butyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2-thienyl)butyl]-6,7-…

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)	4.11	10.46	-11.35	0	2	0	22	273.401	4	↓ MOL2 SDF SMILES Flexibase

41707312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1S)-1-(2-thienyl)butyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S)-1-(2-thieny…

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)	5.00	11.39	-10.9	0	2	0	22	301.455	4	↓ MOL2 SDF SMILES Flexibase

41707315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1R)-1-(2-thienyl)butyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R)-1-(2-thieny…

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)	5.00	11.38	-10.7	0	2	0	22	301.455	4	↓ MOL2 SDF SMILES Flexibase

41707426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(5-chloro-2-thienyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(5-chloro-2-thienyl)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)	4.07	9.73	-10.27	0	2	0	22	293.819	2	↓ MOL2 SDF SMILES Flexibase

41707429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(5-chloro-2-thienyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(5-chloro-2-thienyl)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)	4.07	9.8	-12.02	0	2	0	22	293.819	2	↓ MOL2 SDF SMILES Flexibase

41707432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(5-chloro-2-thienyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(5-chloro-2-thienyl)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)	3.85	9.62	-12.66	0	2	0	22	279.792	2	↓ MOL2 SDF SMILES Flexibase

41707435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(5-chloro-2-thienyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(5-chloro-2-thienyl)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)	3.85	9.61	-12.44	0	2	0	22	279.792	2	↓ MOL2 SDF SMILES Flexibase

41707438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(5-chloro-2-thienyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1S)-1-(5-chloro-2-thienyl)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)	4.74	10.54	-12.07	0	2	0	22	307.846	2	↓ MOL2 SDF SMILES Flexibase

41707441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(5-chloro-2-thienyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1R)-1-(5-chloro-2-thienyl)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)	4.74	10.53	-11.85	0	2	0	22	307.846	2	↓ MOL2 SDF SMILES Flexibase

41707722

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1R)-2-methyl-1-(2-thienyl)propyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R)-2-methyl-1-(2-t…

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)	4.02	10.72	-11.11	0	2	0	22	287.428	3	↓ MOL2 SDF SMILES Flexibase

41707725

Analogs

4937862

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1S)-2-methyl-1-(2-thienyl)propyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S)-2-methyl-1-(2-t…

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)	4.02	10.68	-9.9	0	2	0	22	287.428	3	↓ MOL2 SDF SMILES Flexibase

41707728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-methyl-1-(2-thienyl)propyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-2-methyl-1-(2-thienyl)pr…

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	10.53	-11.33	0	2	0	22	273.401	3	↓ MOL2 SDF SMILES Flexibase

41707731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-methyl-1-(2-thienyl)propyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-2-methyl-1-(2-thienyl)pr…

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	10.53	-11.2	0	2	0	22	273.401	3	↓ MOL2 SDF SMILES Flexibase

41707734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1S)-2-methyl-1-(2-thienyl)propyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S)-2-methyl-1-…

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)	4.68	11.45	-10.82	0	2	0	22	301.455	3	↓ MOL2 SDF SMILES Flexibase

41707737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1R)-2-methyl-1-(2-thienyl)propyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R)-2-methyl-1-…

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)	4.68	11.45	-10.53	0	2	0	22	301.455	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 571399
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 = 571399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=571399&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": "571399"        

    });
</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