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)	1.84	2.9	-11.16	4	5	0	82	259.309	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.40	0.97	-51.34	4	5	1	81	260.317	3	↓ MOL2 SDF SMILES Flexibase

40332862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(1R)-1-(2-hydroxyphen…

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)	1.84	2.21	-12.7	4	5	0	82	259.309	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.40	1.01	-53.24	4	5	1	81	260.317	3	↓ MOL2 SDF SMILES Flexibase

40332863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[(1S)-1-(2-hydroxyphen…

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)	1.91	3.25	-12.45	3	5	0	71	273.336	3	↓ MOL2 SDF SMILES Flexibase

40332864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-(2-hydroxyphenyl)ethyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[(1R)-1-(2-hydroxyphen…

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)	1.91	3.21	-10.31	3	5	0	71	273.336	3	↓ MOL2 SDF SMILES Flexibase

40332865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(1S)-1-(2-hydroxyphenyl)ethyl]-N-methyl-pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(1S)-1-(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)	2.28	4.11	-10.31	3	5	0	71	287.363	4	↓ MOL2 SDF SMILES Flexibase

40332866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(1R)-1-(2-hydroxyphenyl)ethyl]-N-methyl-pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(1R)-1-(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)	2.28	4.15	-9.98	3	5	0	71	287.363	4	↓ MOL2 SDF SMILES Flexibase

40333004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-ethyl-N-[(1S)-1-(3-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)	1.77	2.97	-11.1	4	5	0	82	273.336	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.33	2.8	-52.93	4	5	1	81	274.344	4	↓ MOL2 SDF SMILES Flexibase

40333005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-ethyl-N-[(1R)-1-(3-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)	1.77	3.77	-11.35	4	5	0	82	273.336	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.33	2.45	-54	4	5	1	81	274.344	4	↓ MOL2 SDF SMILES Flexibase

40333008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-ethyl-N-[(1S)-1-(3-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)	1.84	4.21	-10.6	3	5	0	71	287.363	4	↓ MOL2 SDF SMILES Flexibase

40333009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[(1R)-1-(3-hydroxyphenyl)ethyl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-ethyl-N-[(1R)-1-(3-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)	1.84	4.1	-11.86	3	5	0	71	287.363	4	↓ MOL2 SDF SMILES Flexibase

40333253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(3-methoxyphenyl)meth…

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)	1.37	3.94	-15.51	3	5	0	71	259.309	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.93	2.67	-53.48	3	5	1	70	260.317	4	↓ MOL2 SDF SMILES Flexibase

40333254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[(3-methoxyphenyl)meth…

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)	1.44	5	-9.98	2	5	0	61	273.336	4	↓ MOL2 SDF SMILES Flexibase

40333255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methyl-pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(3-methoxyphe…

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)	1.82	5.87	-9.28	2	5	0	61	287.363	5	↓ MOL2 SDF SMILES Flexibase

40333294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(4-ethoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(4-ethoxyphenyl)methy…

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)	1.77	4.87	-12.75	3	5	0	71	273.336	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.33	3.6	-52.47	3	5	1	70	274.344	5	↓ MOL2 SDF SMILES Flexibase

40333295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(4-ethoxyphenyl)methyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[(4-ethoxyphenyl)methy…

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)	1.84	5.9	-10.44	2	5	0	61	287.363	5	↓ MOL2 SDF SMILES Flexibase

40333311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(2-bromophenyl)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)	2.10	5.13	-11.45	3	4	0	62	308.179	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.66	3.84	-50.13	3	4	1	60	309.187	3	↓ MOL2 SDF SMILES Flexibase

40333312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2-bromophenyl)methyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[(2-bromophenyl)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)	2.17	5.92	-7.4	2	4	0	51	322.206	3	↓ MOL2 SDF SMILES Flexibase

40333313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2-bromophenyl)methyl]-1-ethyl-N-methyl-pyrrole-2-carboxamide 4-amino-N-[(2-bromophenyl)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)	2.54	6.79	-6.97	2	4	0	51	336.233	4	↓ MOL2 SDF SMILES Flexibase

40333314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(2-bromophenyl)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)	3.05	7.55	-6.94	2	4	0	51	350.26	5	↓ MOL2 SDF SMILES Flexibase

40333315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2-bromophenyl)methyl]-1-isopropyl-N-methyl-pyrrole-2-carboxamide 4-amino-N-[(2-bromophenyl)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)	2.91	7.37	-6.98	2	4	0	51	350.26	4	↓ MOL2 SDF SMILES Flexibase

40333361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-benzyl-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide 4-amino-N-benzyl-N-(2-methoxyeth…

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)	1.32	5.6	-13.04	3	5	0	71	273.336	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.88	4.56	-50.46	3	5	1	70	274.344	6	↓ MOL2 SDF SMILES Flexibase

40333362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-benzyl-N-(2-methoxyethyl)-1-methyl-pyrrole-2-carboxamide 4-amino-N-benzyl-N-(2-methoxyeth…

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)	1.39	5.63	-9.67	2	5	0	61	287.363	6	↓ MOL2 SDF SMILES Flexibase

40333366

Analogs

40315010

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(4-tert-butylphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(4-tert-butylphenyl)m…

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	6.96	-11.76	3	4	0	62	285.391	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.61	5.69	-50.9	3	4	1	60	286.399	4	↓ MOL2 SDF SMILES Flexibase

40333368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[[4-(difluoromethoxy)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)	1.95	4.22	-16.22	3	5	0	71	295.289	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.51	2.95	-54.57	3	5	1	70	296.297	5	↓ MOL2 SDF SMILES Flexibase

40333469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(2,3-dichlorophenyl)m…

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)	2.60	5.48	-14.22	3	4	0	62	298.173	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.16	4.23	-51.92	3	4	1	60	299.181	3	↓ MOL2 SDF SMILES Flexibase

40333470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2,3-dichlorophenyl)methyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[(2,3-dichlorophenyl)m…

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)	2.67	6.32	-7.14	2	4	0	51	312.2	3	↓ MOL2 SDF SMILES Flexibase

40333471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2,3-dichlorophenyl)methyl]-1-ethyl-N-methyl-pyrrole-2-carboxamide 4-amino-N-[(2,3-dichlorophenyl)m…

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)	3.04	7.19	-6.7	2	4	0	51	326.227	4	↓ MOL2 SDF SMILES Flexibase

40333485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(5-bromo-2-methoxy-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)	2.13	5.97	-10.44	3	5	0	71	338.205	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.69	4.69	-51.18	3	5	1	70	339.213	4	↓ MOL2 SDF SMILES Flexibase

40333486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(5-bromo-2-methoxy-phenyl)methyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[(5-bromo-2-methoxy-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)	2.20	5.79	-9.86	2	5	0	61	352.232	4	↓ MOL2 SDF SMILES Flexibase

40333509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-allyloxyphenyl)methyl]-4-amino-N-methyl-1H-pyrrole-2-carboxamide N-[(4-allyloxyphenyl)methyl]-4-a…

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)	2.04	5.46	-12.76	3	5	0	71	285.347	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.60	4.18	-52.54	3	5	1	70	286.355	6	↓ MOL2 SDF SMILES Flexibase

40333520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(2,3-dimethoxyphenyl)…

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)	1.16	5.02	-15.5	3	6	0	81	289.335	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.72	3.75	-52.69	3	6	1	79	290.343	5	↓ MOL2 SDF SMILES Flexibase

40333582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(2-chloro-6-fluoro-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)	2.09	4.99	-9.46	3	4	0	62	281.718	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.64	3.73	-50.04	3	4	1	60	282.726	3	↓ MOL2 SDF SMILES Flexibase

40333583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2-chloro-6-fluoro-phenyl)methyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[(2-chloro-6-fluoro-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)	2.15	5.96	-10.17	2	4	0	51	295.745	3	↓ MOL2 SDF SMILES Flexibase

40333584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2-chloro-6-fluoro-phenyl)methyl]-1-ethyl-N-methyl-pyrrole-2-carboxamide 4-amino-N-[(2-chloro-6-fluoro-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)	2.53	6.82	-9.43	2	4	0	51	309.772	4	↓ MOL2 SDF SMILES Flexibase

45413309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide 4-chloro-N-[(3,4-difluorophenyl)…

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)	3.17	8.64	-15.71	1	3	0	36	298.72	4	↓ MOL2 SDF SMILES Flexibase

40333974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-benzyl-N-[(1R)-1-methylpropyl]-1H-pyrrole-2-carboxamide 4-amino-N-benzyl-N-[(1R)-1-methy…

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)	2.55	7.41	-8.49	3	4	0	62	271.364	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.11	6.95	-52.69	3	4	1	60	272.372	5	↓ MOL2 SDF SMILES Flexibase

40333975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-benzyl-N-[(1S)-1-methylpropyl]-1H-pyrrole-2-carboxamide 4-amino-N-benzyl-N-[(1S)-1-methy…

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)	2.55	7.18	-8.41	3	4	0	62	271.364	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.11	6.65	-52.45	3	4	1	60	272.372	5	↓ MOL2 SDF SMILES Flexibase

40333976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-benzyl-1-methyl-N-[(1R)-1-methylpropyl]pyrrole-2-carboxamide 4-amino-N-benzyl-1-methyl-N-[(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)	2.62	7.36	-9.58	2	4	0	51	285.391	5	↓ MOL2 SDF SMILES Flexibase

40333977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-benzyl-1-methyl-N-[(1S)-1-methylpropyl]pyrrole-2-carboxamide 4-amino-N-benzyl-1-methyl-N-[(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)	2.62	6.97	-9.5	2	4	0	51	285.391	5	↓ MOL2 SDF SMILES Flexibase

40333999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-propyl-N-(p-tolylmethyl)-1H-pyrrole-2-carboxamide 4-amino-N-propyl-N-(p-tolylmethy…

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)	2.67	7.31	-10.72	3	4	0	62	271.364	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.23	6.29	-50.95	3	4	1	60	272.372	5	↓ MOL2 SDF SMILES Flexibase

40334000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-propyl-N-(p-tolylmethyl)pyrrole-2-carboxamide 4-amino-1-methyl-N-propyl-N-(p-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)	2.73	7.99	-8.72	2	4	0	51	285.391	5	↓ MOL2 SDF SMILES Flexibase

40334069

Analogs

40306815

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-1H-pyrrole-2-carboxamide 4-amino-N-ethyl-N-[(3-fluoro-4-m…

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)	1.86	5.25	-17.25	3	5	0	71	291.326	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.42	4.24	-55.41	3	5	1	70	292.334	5	↓ MOL2 SDF SMILES Flexibase

40334516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide 4-amino-N-ethyl-N-[(3-fluorophen…

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)	1.86	5.94	-14.38	3	4	0	62	261.3	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.41	4.93	-52.87	3	4	1	60	262.308	4	↓ MOL2 SDF SMILES Flexibase

40334518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-ethyl-N-[(3-fluorophen…

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)	1.92	6.59	-11.88	2	4	0	51	275.327	4	↓ MOL2 SDF SMILES Flexibase

40334519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N,1-diethyl-N-[(3-fluorophenyl)methyl]pyrrole-2-carboxamide 4-amino-N,1-diethyl-N-[(3-fluoro…

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)	2.30	7.49	-7.76	2	4	0	51	289.354	5	↓ MOL2 SDF SMILES Flexibase

40334537

Analogs

40322668

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(4-dimethylaminophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[(4-dimethylaminopheny…

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)	1.44	5.07	-12.92	3	5	0	65	272.352	4	↓ MOL2 SDF SMILES Flexibase

40334538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(4-dimethylaminophenyl)methyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[(4-dimethylaminopheny…

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)	1.51	6.09	-10.86	2	5	0	55	286.379	4	↓ MOL2 SDF SMILES Flexibase

40334614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-benzyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide 4-amino-N-benzyl-N-(2,2,2-triflu…

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	6.26	-9.99	3	4	0	62	297.28	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.82	5.27	-52.44	3	4	1	60	298.288	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 10479
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 = 10479 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10479&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": "10479"        

    });
</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