ZINC 12

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)	1.93	5.77	-11.98	3	5	0	63	284.363	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-2.56	5.12	-125.27	4	5	2	63	286.379	4	↓ MOL2 SDF SMILES Flexibase

62824122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-iodo-benzoic 2-[(1-cyclopropylpyrrole-2-carbo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	9.41	-46.19	1	5	-1	74	395.176	4	↓ MOL2 SDF SMILES Flexibase

62826517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic 3-bromo-2-[(1-cyclopropylpyrrole…

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)	3.22	9.08	-48.76	1	5	-1	74	348.176	4	↓ MOL2 SDF SMILES Flexibase

62839240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-aminoethoxy)phenyl]-1-cyclopropyl-pyrrole-2-carboxamide N-[3-(2-aminoethoxy)phenyl]-1-cy…

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	5.19	-54.42	4	5	1	71	286.355	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.25	4.75	-11.54	3	5	0	69	285.347	6	↓ MOL2 SDF SMILES Flexibase

63009062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-fluoro-benzoic 4-[(1-cyclopropylpyrrole-2-carbo…

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)	2.42	8.06	-48.78	1	5	-1	74	287.27	4	↓ MOL2 SDF SMILES Flexibase

40769482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-3-methoxy-phenyl)-1-cyclopropyl-pyrrole-2-carboxamide N-(4-amino-3-methoxy-phenyl)-1-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)	1.88	4.79	-11.95	3	5	0	69	271.32	4	↓ MOL2 SDF SMILES Flexibase

40769490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-3-methoxy-phenyl)-4-bromo-1-cyclopropyl-pyrrole-2-carboxamide N-(4-amino-3-methoxy-phenyl)-4-b…

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)	2.62	5.41	-11.39	3	5	0	69	350.216	4	↓ MOL2 SDF SMILES Flexibase

40769494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-3-methoxy-phenyl)-4-chloro-1-cyclopropyl-pyrrole-2-carboxamide N-(4-amino-3-methoxy-phenyl)-4-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)	2.49	5.31	-11.44	3	5	0	69	305.765	4	↓ MOL2 SDF SMILES Flexibase

70329721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-cyclopropyl-N-(3-fluoro-4-hydroxy-phenyl)pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-(3-fluo…

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)	2.89	5.23	-14.85	2	4	0	54	294.713	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.89	5.99	-53.31	1	4	-1	57	293.705	3	↓ MOL2 SDF SMILES Flexibase

70329871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-(3-fluoro-4-hydroxy-phenyl)pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-(3-fluor…

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)	3.02	5.32	-14.73	2	4	0	54	339.164	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.02	6.08	-53.28	1	4	-1	57	338.156	3	↓ MOL2 SDF SMILES Flexibase

70331322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-cyclopropyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-[4-(hyd…

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)	2.36	5.34	-12.38	2	4	0	54	290.75	4	↓ MOL2 SDF SMILES Flexibase

70331546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-[4-(hydr…

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	5.44	-12.32	2	4	0	54	335.201	4	↓ MOL2 SDF SMILES Flexibase

70332276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-cyclopropyl-N-(3-hydroxy-2-methyl-phenyl)pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-(3-hydr…

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)	3.36	6	-11.51	2	4	0	54	290.75	3	↓ MOL2 SDF SMILES Flexibase

70332410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-(3-hydroxy-2-methyl-phenyl)pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-(3-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)	3.49	6.09	-11.45	2	4	0	54	335.201	3	↓ MOL2 SDF SMILES Flexibase

70332544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-cyclopropyl-N-(3-hydroxy-4-methyl-phenyl)pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-(3-hydr…

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)	3.39	5.91	-10.57	2	4	0	54	290.75	3	↓ MOL2 SDF SMILES Flexibase

70332670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-(3-hydroxy-4-methyl-phenyl)pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-(3-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)	3.52	6.02	-10.51	2	4	0	54	335.201	3	↓ MOL2 SDF SMILES Flexibase

70333071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-cyclopropyl-N-(2-fluoro-4-hydroxy-phenyl)pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-(2-fluo…

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)	2.63	5.26	-8.78	2	4	0	54	294.713	3	↓ MOL2 SDF SMILES Flexibase

70333204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-(2-fluoro-4-hydroxy-phenyl)pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-(2-fluor…

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)	2.77	5.35	-8.81	2	4	0	54	339.164	3	↓ MOL2 SDF SMILES Flexibase

70333453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(4-chloro-3-hydroxy-phenyl)-1-cyclopropyl-pyrrole-2-carboxamide 4-chloro-N-(4-chloro-3-hydroxy-p…

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)	3.41	5.72	-10.14	2	4	0	54	311.168	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.41	6.47	-55.15	1	4	-1	57	310.16	3	↓ MOL2 SDF SMILES Flexibase

70333597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(4-chloro-3-hydroxy-phenyl)-1-cyclopropyl-pyrrole-2-carboxamide 4-bromo-N-(4-chloro-3-hydroxy-ph…

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)	3.54	5.82	-10.1	2	4	0	54	355.619	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.54	6.58	-55.14	1	4	-1	57	354.611	3	↓ MOL2 SDF SMILES Flexibase

70333817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(3-chloro-4-hydroxy-phenyl)-1-cyclopropyl-pyrrole-2-carboxamide 4-chloro-N-(3-chloro-4-hydroxy-p…

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)	3.41	5.71	-13.4	2	4	0	54	311.168	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.41	6.47	-48.37	1	4	-1	57	310.16	3	↓ MOL2 SDF SMILES Flexibase

70333866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(3-chloro-4-hydroxy-phenyl)-1-cyclopropyl-pyrrole-2-carboxamide 4-bromo-N-(3-chloro-4-hydroxy-ph…

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)	3.54	5.81	-13.36	2	4	0	54	355.619	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.54	6.57	-48.34	1	4	-1	57	354.611	3	↓ MOL2 SDF SMILES Flexibase

70334034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(2-chloro-4-hydroxy-phenyl)-1-cyclopropyl-pyrrole-2-carboxamide 4-chloro-N-(2-chloro-4-hydroxy-p…

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)	3.15	5.75	-8.64	2	4	0	54	311.168	3	↓ MOL2 SDF SMILES Flexibase

70334182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(2-chloro-4-hydroxy-phenyl)-1-cyclopropyl-pyrrole-2-carboxamide 4-bromo-N-(2-chloro-4-hydroxy-ph…

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)	3.28	5.85	-8.61	2	4	0	54	355.619	3	↓ MOL2 SDF SMILES Flexibase

49363255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide 1-cyclopropyl-N-[2-(hydroxymethy…

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)	1.71	5.12	-12.54	2	4	0	54	256.305	4	↓ MOL2 SDF SMILES Flexibase

49363273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-[2-(hyd…

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)	2.31	5.64	-12.17	2	4	0	54	290.75	4	↓ MOL2 SDF SMILES Flexibase

49528099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-(4-methoxy-3-methyl-phenyl)pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(4-metho…

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)	2.26	5.4	-11.58	3	5	0	69	285.347	4	↓ MOL2 SDF SMILES Flexibase

49532329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-(4-methoxy-3-methyl-phenyl)pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-(4-metho…

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)	3.59	8.16	-11.05	1	4	0	43	349.228	4	↓ MOL2 SDF SMILES Flexibase

49550534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-N-[2-[(1S)-1-hydroxyethyl]phenyl]pyrrole-2-carboxamide 1-cyclopropyl-N-[2-[(1S)-1-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)	1.93	5.8	-12.17	2	4	0	54	270.332	4	↓ MOL2 SDF SMILES Flexibase

49550535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-N-[2-[(1R)-1-hydroxyethyl]phenyl]pyrrole-2-carboxamide 1-cyclopropyl-N-[2-[(1R)-1-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)	1.93	5.87	-12.73	2	4	0	54	270.332	4	↓ MOL2 SDF SMILES Flexibase

49550549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-cyclopropyl-N-[2-[(1S)-1-hydroxyethyl]phenyl]pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-[2-[(1S…

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)	2.54	6.3	-11.7	2	4	0	54	304.777	4	↓ MOL2 SDF SMILES Flexibase

49550551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-cyclopropyl-N-[2-[(1R)-1-hydroxyethyl]phenyl]pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-[2-[(1R…

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)	2.54	6.38	-12.19	2	4	0	54	304.777	4	↓ MOL2 SDF SMILES Flexibase

49551360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-(2-propylphenyl)pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(2-propy…

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	7.46	-10.7	3	4	0	60	283.375	5	↓ MOL2 SDF SMILES Flexibase

49562798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(5-bromo-2-methoxy-phenyl)-1-cyclopropyl-pyrrole-2-carboxamide 4-amino-N-(5-bromo-2-methoxy-phe…

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)	2.62	5.38	-11.45	3	5	0	69	350.216	4	↓ MOL2 SDF SMILES Flexibase

49562845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-(4-fluoro-2-methoxy-phenyl)pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(4-fluor…

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)	1.98	4.83	-9.6	3	5	0	69	289.31	4	↓ MOL2 SDF SMILES Flexibase

49570438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-cyclopropyl-N-(4-fluoro-2-methoxy-phenyl)pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-(4-fluor…

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)	3.30	7.58	-8.99	1	4	0	43	353.191	4	↓ MOL2 SDF SMILES Flexibase

49572005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-methoxy-phenyl)-1-cyclopropyl-pyrrole-2-carboxamide N-(5-bromo-2-methoxy-phenyl)-1-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)	3.21	7.53	-11.46	1	4	0	43	335.201	4	↓ MOL2 SDF SMILES Flexibase

49572009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-methoxy-phenyl)-4-chloro-1-cyclopropyl-pyrrole-2-carboxamide N-(5-bromo-2-methoxy-phenyl)-4-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)	3.82	8.04	-10.81	1	4	0	43	369.646	4	↓ MOL2 SDF SMILES Flexibase

42011867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-N-(3-ethynylphenyl)pyrrole-2-carboxamide 1-cyclopropyl-N-(3-ethynylphenyl…

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)	2.15	8.68	-10.89	1	3	0	34	250.301	3	↓ MOL2 SDF SMILES Flexibase

42011871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-cyclopropyl-N-(3-ethynylphenyl)pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-(3-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)	2.76	9.21	-10.44	1	3	0	34	284.746	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 10487
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 = 10487 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10487&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": "10487"        

    });
</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