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

36130245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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)	1.57	4.31	-10.29	2	4	0	56	244.294	4	↓ MOL2 SDF SMILES Flexibase

58308522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-6-methyl-1H-indole-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-6-…

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)	2.41	7.73	-12.6	1	4	0	60	253.305	3	↓ MOL2 SDF SMILES Flexibase

14796789

Analogs

25771926
25771928
60249718
1337708

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1H-indole-2-carboxamide N-cyclopropyl-1H-indole-2-carbox…

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)	1.96	4.43	-8.58	2	3	0	45	200.241	2	↓ MOL2 SDF SMILES Flexibase

62833675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-cyclopropyl-N-ethyl-1H-indole-2-carboxamide 7-amino-N-cyclopropyl-N-ethyl-1H…

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)	2.01	5.61	-10.03	3	4	0	62	243.31	3	↓ MOL2 SDF SMILES Flexibase

62833676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-cyclopropyl-N-methyl-1H-indole-2-carboxamide 7-amino-N-cyclopropyl-N-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)	1.64	4.26	-10.38	3	4	0	62	229.283	2	↓ MOL2 SDF SMILES Flexibase

62833680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-cyclopropyl-N-propyl-1H-indole-2-carboxamide 7-amino-N-cyclopropyl-N-propyl-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)	2.52	6.44	-9.4	3	4	0	62	257.337	4	↓ MOL2 SDF SMILES Flexibase

62833747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-cyclopropyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide 7-amino-N-cyclopropyl-N-(2-hydro…

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)	1.01	2.2	-11.09	4	5	0	82	259.309	4	↓ MOL2 SDF SMILES Flexibase

62833790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-cyclopropyl-N-isobutyl-1H-indole-2-carboxamide 7-amino-N-cyclopropyl-N-isobutyl…

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)	2.76	6.27	-7.76	3	4	0	62	271.364	4	↓ MOL2 SDF SMILES Flexibase

62833795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-cyclopropyl-N-isopentyl-1H-indole-2-carboxamide 7-amino-N-cyclopropyl-N-isopenty…

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)	3.29	7.91	-9.04	3	4	0	62	285.391	5	↓ MOL2 SDF SMILES Flexibase

62833802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-butyl-N-cyclopropyl-1H-indole-2-carboxamide 7-amino-N-butyl-N-cyclopropyl-1H…

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)	3.08	7.22	-9.31	3	4	0	62	271.364	5	↓ MOL2 SDF SMILES Flexibase

62833843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-(2-cyanoethyl)-N-cyclopropyl-1H-indole-2-carboxamide 7-amino-N-(2-cyanoethyl)-N-cyclo…

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)	1.09	6.01	-10.57	3	5	0	86	268.32	4	↓ MOL2 SDF SMILES Flexibase

62833926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide 7-amino-N-cyclopropyl-N-(2,2,2-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)	2.56	6.02	-10.05	3	4	0	62	297.28	4	↓ MOL2 SDF SMILES Flexibase

62833963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-[(1S)-2,2-dimethylcyclopropyl]-1H-indole-2-carboxamide 7-amino-N-[(1S)-2,2-dimethylcycl…

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)	1.96	3.67	-9.01	4	4	0	71	243.31	2	↓ MOL2 SDF SMILES Flexibase

62833964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-[(1R)-2,2-dimethylcyclopropyl]-1H-indole-2-carboxamide 7-amino-N-[(1R)-2,2-dimethylcycl…

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)	1.96	3.67	-9.01	4	4	0	71	243.31	2	↓ MOL2 SDF SMILES Flexibase

62834013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-[(1S,2R)-2-methylcyclopropyl]-1H-indole-2-carboxamide 7-amino-N-[(1S,2R)-2-methylcyclo…

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)	2.00	3.16	-8.99	4	4	0	71	229.283	2	↓ MOL2 SDF SMILES Flexibase

62834014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-[(1S,2S)-2-methylcyclopropyl]-1H-indole-2-carboxamide 7-amino-N-[(1S,2S)-2-methylcyclo…

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)	2.00	3	-9.13	4	4	0	71	229.283	2	↓ MOL2 SDF SMILES Flexibase

62834015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-[(1R,2R)-2-methylcyclopropyl]-1H-indole-2-carboxamide 7-amino-N-[(1R,2R)-2-methylcyclo…

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)	2.00	3	-9.13	4	4	0	71	229.283	2	↓ MOL2 SDF SMILES Flexibase

62834016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-N-[(1R,2S)-2-methylcyclopropyl]-1H-indole-2-carboxamide 7-amino-N-[(1R,2S)-2-methylcyclo…

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)	2.00	3.16	-8.99	4	4	0	71	229.283	2	↓ MOL2 SDF SMILES Flexibase

62834158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclopropyl-N-methyl-1H-indole-2-carboxamide 5-amino-N-cyclopropyl-N-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)	1.25	4.25	-10.76	3	4	0	62	229.283	2	↓ MOL2 SDF SMILES Flexibase

62834162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclopropyl-N-propyl-1H-indole-2-carboxamide 5-amino-N-cyclopropyl-N-propyl-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)	2.13	6.37	-9.71	3	4	0	62	257.337	4	↓ MOL2 SDF SMILES Flexibase

62834244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclopropyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide 5-amino-N-cyclopropyl-N-(2-hydro…

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)	0.62	2.18	-11.37	4	5	0	82	259.309	4	↓ MOL2 SDF SMILES Flexibase

62834293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclopropyl-N-isobutyl-1H-indole-2-carboxamide 5-amino-N-cyclopropyl-N-isobutyl…

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)	2.38	6.26	-8.11	3	4	0	62	271.364	4	↓ MOL2 SDF SMILES Flexibase

62834298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclopropyl-N-isopentyl-1H-indole-2-carboxamide 5-amino-N-cyclopropyl-N-isopenty…

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	7.68	-9.38	3	4	0	62	285.391	5	↓ MOL2 SDF SMILES Flexibase

62834307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-butyl-N-cyclopropyl-1H-indole-2-carboxamide 5-amino-N-butyl-N-cyclopropyl-1H…

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	7.15	-9.58	3	4	0	62	271.364	5	↓ MOL2 SDF SMILES Flexibase

62834352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1H-indole-2-carboxamide 5-amino-N-(2-cyanoethyl)-N-cyclo…

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)	0.71	6	-11.58	3	5	0	86	268.32	4	↓ MOL2 SDF SMILES Flexibase

62834446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide 5-amino-N-cyclopropyl-N-(2,2,2-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)	2.18	6.01	-10.48	3	4	0	62	297.28	4	↓ MOL2 SDF SMILES Flexibase

62834484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S)-2,2-dimethylcyclopropyl]-1H-indole-2-carboxamide 5-amino-N-[(1S)-2,2-dimethylcycl…

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)	1.57	3.64	-9.4	4	4	0	71	243.31	2	↓ MOL2 SDF SMILES Flexibase

62834485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R)-2,2-dimethylcyclopropyl]-1H-indole-2-carboxamide 5-amino-N-[(1R)-2,2-dimethylcycl…

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)	1.57	3.64	-9.39	4	4	0	71	243.31	2	↓ MOL2 SDF SMILES Flexibase

62834534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2R)-2-methylcyclopropyl]-1H-indole-2-carboxamide 5-amino-N-[(1S,2R)-2-methylcyclo…

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)	1.62	3.13	-9.33	4	4	0	71	229.283	2	↓ MOL2 SDF SMILES Flexibase

62834535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2S)-2-methylcyclopropyl]-1H-indole-2-carboxamide 5-amino-N-[(1S,2S)-2-methylcyclo…

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)	1.62	2.98	-9.51	4	4	0	71	229.283	2	↓ MOL2 SDF SMILES Flexibase

62834536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2R)-2-methylcyclopropyl]-1H-indole-2-carboxamide 5-amino-N-[(1R,2R)-2-methylcyclo…

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)	1.62	2.98	-9.51	4	4	0	71	229.283	2	↓ MOL2 SDF SMILES Flexibase

62834537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2S)-2-methylcyclopropyl]-1H-indole-2-carboxamide 5-amino-N-[(1R,2S)-2-methylcyclo…

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)	1.62	3.14	-9.33	4	4	0	71	229.283	2	↓ MOL2 SDF SMILES Flexibase

49249124

Analogs

6675703

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N,1-dimethyl-indole-2-carboxamide N-cyclopropyl-N,1-dimethyl-indol…

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)	2.27	7.36	-9.61	0	3	0	25	228.295	2	↓ MOL2 SDF SMILES Flexibase

49249204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-cyclopropyl-N-methyl-1H-indole-2-carboxamide 6-chloro-N-cyclopropyl-N-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)	2.86	6.87	-8.22	1	3	0	36	248.713	2	↓ MOL2 SDF SMILES Flexibase

49249264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N,4,6-trimethyl-1H-indole-2-carboxamide N-cyclopropyl-N,4,6-trimethyl-1H…

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)	3.00	7.67	-9.52	1	3	0	36	242.322	2	↓ MOL2 SDF SMILES Flexibase

49425832

Analogs

6675703

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-1-methyl-indole-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-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)	2.06	8.02	-12.7	0	4	0	49	253.305	3	↓ MOL2 SDF SMILES Flexibase

49425842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-1-ethyl-indole-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-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)	2.43	8.96	-12.28	0	4	0	49	267.332	4	↓ MOL2 SDF SMILES Flexibase

49425922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(cyanomethyl)-N-cyclopropyl-5-fluoro-1H-indole-2-carboxamide 3-chloro-N-(cyanomethyl)-N-cyclo…

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)	1.76	7.07	-10.57	1	4	0	60	291.713	3	↓ MOL2 SDF SMILES Flexibase

49425953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-(cyanomethyl)-N-cyclopropyl-1H-indole-2-carboxamide 3-bromo-N-(cyanomethyl)-N-cyclop…

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)	2.73	7.1	-10.47	1	4	0	60	318.174	3	↓ MOL2 SDF SMILES Flexibase

49425984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-(cyanomethyl)-N-cyclopropyl-1-methyl-indole-2-carboxamide 3-bromo-N-(cyanomethyl)-N-cyclop…

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)	2.79	8.84	-11.21	0	4	0	49	332.201	3	↓ MOL2 SDF SMILES Flexibase

49425992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-N-(cyanomethyl)-N-cyclopropyl-1H-indole-2-carboxamide 3,5-dichloro-N-(cyanomethyl)-N-c…

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)	3.25	7.55	-10.07	1	4	0	60	308.168	3	↓ MOL2 SDF SMILES Flexibase

49426001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-(cyanomethyl)-N-cyclopropyl-1H-indole-2-carboxamide 6-chloro-N-(cyanomethyl)-N-cyclo…

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)	2.64	7.57	-11.61	1	4	0	60	273.723	3	↓ MOL2 SDF SMILES Flexibase

49426031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-5-methyl-1H-indole-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-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)	2.41	7.75	-12.82	1	4	0	60	253.305	3	↓ MOL2 SDF SMILES Flexibase

49426036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-4-fluoro-1H-indole-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-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)	2.10	7.15	-15.38	1	4	0	60	257.268	3	↓ MOL2 SDF SMILES Flexibase

49426082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyanomethyl)-N-cyclopropyl-4,6-dimethyl-1H-indole-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-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)	2.79	8.37	-12.71	1	4	0	60	267.332	3	↓ MOL2 SDF SMILES Flexibase

37842294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	2.44	8.94	-11.7	1	5	0	62	286.331	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 63535
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 = 63535 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=63535&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": "63535"        

    });
</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