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

36164015

Analogs

36164017
36164020
36164023
42176052

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-1H-indole-3-carboxamide N-[(1S,3R)-3-methylcyclohexyl]-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)	3.19	6.91	-14.58	2	3	0	45	256.349	2	↓ MOL2 SDF SMILES Flexibase

36164017

Analogs

36164020
36164023
42176052
36164015

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-1H-indole-3-carboxamide N-[(1S,3S)-3-methylcyclohexyl]-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)	3.19	7.33	-13.84	2	3	0	45	256.349	2	↓ MOL2 SDF SMILES Flexibase

36164020

Analogs

36164023
42176052
36164015
36164017

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-1H-indole-3-carboxamide N-[(1R,3R)-3-methylcyclohexyl]-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)	3.19	7.33	-13.86	2	3	0	45	256.349	2	↓ MOL2 SDF SMILES Flexibase

36164023

Analogs

42176052
36164015
36164017
36164020

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-1H-indole-3-carboxamide N-[(1R,3S)-3-methylcyclohexyl]-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)	3.19	6.91	-14.61	2	3	0	45	256.349	2	↓ MOL2 SDF SMILES Flexibase

62832232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclohexyl-1H-indole-3-carboxamide 5-amino-N-cyclohexyl-1H-indole-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)	2.24	4.17	-16.02	4	4	0	71	257.337	2	↓ MOL2 SDF SMILES Flexibase

62832279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-(4-methylcyclohexyl)-1H-indole-3-carboxamide 5-amino-N-(4-methylcyclohexyl)-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)	2.01	5.19	-15.13	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-(4-hydroxycyclohexyl)-1H-indole-3-carboxamide 5-amino-N-(4-hydroxycyclohexyl)-…

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	0.83	-18.72	5	5	0	91	273.336	2	↓ MOL2 SDF SMILES Flexibase

62832290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclohexyl-N-methyl-1H-indole-3-carboxamide 5-amino-N-cyclohexyl-N-methyl-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	5.66	-15.6	3	4	0	62	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2R)-2-methylcyclohexyl]-1H-indole-3-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)	2.48	5.43	-15.11	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2S)-2-methylcyclohexyl]-1H-indole-3-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)	2.48	5.03	-15.72	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-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)	2.48	5.03	-15.74	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-3-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)	2.48	5.43	-15.13	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-cyclohexyl-N-ethyl-1H-indole-3-carboxamide 5-amino-N-cyclohexyl-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)	2.39	6.76	-13.61	3	4	0	62	285.391	3	↓ MOL2 SDF SMILES Flexibase

62832350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,2R,3R)-2,3-dimeth…

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)	2.72	5.1	-15.61	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,2R,3S)-2,3-dimeth…

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)	2.72	5.91	-14.79	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,2R,3R)-2,3-dimeth…

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)	2.72	5.27	-15.57	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,2R,3S)-2,3-dimeth…

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)	2.72	5.5	-15.62	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,3R)-3-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,3R)-3-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)	2.25	4.78	-15.71	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,3S)-3-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,3S)-3-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)	2.25	5.2	-14.98	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,3R)-3-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,3R)-3-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)	2.25	5.2	-14.92	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,3S)-3-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,3S)-3-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)	2.25	4.78	-15.71	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-(4-methylcyclohexyl)-1H-indole-3-carboxamide 5-amino-N-methyl-N-(4-methylcycl…

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)	1.78	5.7	-16.37	3	4	0	62	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(1S,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-methyl-N-[(1S,2R)-2-me…

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)	2.25	6.19	-16.54	3	4	0	62	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(1S,2S)-2-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-methyl-N-[(1S,2S)-2-me…

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)	2.25	6.72	-15.38	3	4	0	62	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(1R,2R)-2-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-methyl-N-[(1R,2R)-2-me…

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)	2.25	6.73	-15.39	3	4	0	62	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-methyl-N-[(1R,2S)-2-me…

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)	2.25	6.19	-16.55	3	4	0	62	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(1S,3R)-3-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-methyl-N-[(1S,3R)-3-me…

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)	2.02	6.27	-15.56	3	4	0	62	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-methyl-N-[(1S,3S)-3-me…

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)	2.02	5.71	-16.58	3	4	0	62	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(1R,3R)-3-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-methyl-N-[(1R,3R)-3-me…

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)	2.02	5.71	-16.61	3	4	0	62	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-methyl-N-[(1R,3S)-3-methylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-methyl-N-[(1R,3S)-3-me…

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)	2.02	6.27	-15.45	3	4	0	62	285.391	2	↓ MOL2 SDF SMILES Flexibase

62832799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2R)-2-ethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,2R)-2-ethylcycloh…

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)	2.98	6.05	-15.02	4	4	0	71	285.391	3	↓ MOL2 SDF SMILES Flexibase

62832800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2S)-2-ethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,2S)-2-ethylcycloh…

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)	2.98	5.68	-15.55	4	4	0	71	285.391	3	↓ MOL2 SDF SMILES Flexibase

62832801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2R)-2-ethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,2R)-2-ethylcycloh…

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)	2.98	5.68	-15.53	4	4	0	71	285.391	3	↓ MOL2 SDF SMILES Flexibase

62832802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2S)-2-ethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,2S)-2-ethylcycloh…

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)	2.98	6.05	-15.01	4	4	0	71	285.391	3	↓ MOL2 SDF SMILES Flexibase

62832804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-(4-ethylcyclohexyl)-1H-indole-3-carboxamide 5-amino-N-(4-ethylcyclohexyl)-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)	2.70	5.43	-15.76	4	4	0	71	285.391	3	↓ MOL2 SDF SMILES Flexibase

62832894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-(1-methylcyclohexyl)-1H-indole-3-carboxamide 5-amino-N-(1-methylcyclohexyl)-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)	2.68	5.09	-14.37	4	4	0	71	271.364	2	↓ MOL2 SDF SMILES Flexibase

62832945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,2S)-2-hydroxycycl…

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	1.3	-17.48	5	5	0	91	273.336	2	↓ MOL2 SDF SMILES Flexibase

62832946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,2S)-2-hydroxycycl…

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	0.89	-18.31	5	5	0	91	273.336	2	↓ MOL2 SDF SMILES Flexibase

62832947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,2R)-2-hydroxycycl…

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	0.89	-18.31	5	5	0	91	273.336	2	↓ MOL2 SDF SMILES Flexibase

62832948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,2R)-2-hydroxycycl…

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	1.05	-15.86	5	5	0	91	273.336	2	↓ MOL2 SDF SMILES Flexibase

62832962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[1-(hydroxymethyl)cyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[1-(hydroxymethyl)cycl…

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)	1.68	1.89	-14.29	5	5	0	91	287.363	3	↓ MOL2 SDF SMILES Flexibase

70110127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1H-indole-3-carboxamide 6-amino-N-[(1S,2R,4R)-2,4-dimeth…

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)	2.49	6.04	-13.46	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

70110128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1H-indole-3-carboxamide 6-amino-N-[(1S,2R,4S)-2,4-dimeth…

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)	2.49	5.23	-14.17	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

70110129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1H-indole-3-carboxamide 6-amino-N-[(1R,2R,4R)-2,4-dimeth…

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)	2.49	5.65	-14.28	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

70110130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1H-indole-3-carboxamide 6-amino-N-[(1R,2R,4S)-2,4-dimeth…

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)	2.49	5.41	-14.26	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

70110203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,2R,4R)-2,4-dimeth…

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)	2.49	6.03	-14.88	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

70110204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1S,2R,4S)-2,4-dimeth…

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)	2.49	5.23	-15.59	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

70110205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,2R,4R)-2,4-dimeth…

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)	2.49	5.64	-15.6	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

70110206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1H-indole-3-carboxamide 5-amino-N-[(1R,2R,4S)-2,4-dimeth…

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)	2.49	5.41	-15.66	4	4	0	71	285.391	2	↓ MOL2 SDF SMILES Flexibase

70116639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1H-indole-3-carboxamide N-[(1S,2R,4R)-2,4-dimethylcycloh…

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	8.17	-13.73	2	3	0	45	270.376	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 80960
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 = 80960 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=80960&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": "80960"        

    });
</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