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)	3.38	6.63	-7.51	2	3	0	46	314.863	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.38	6.41	-44.78	3	3	1	48	315.871	4	↓ MOL2 SDF SMILES Flexibase

40333857

Analogs

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Popular Name: 3-amino-N-[(5-chloro-2-thienyl)methyl]-N-ethyl-thiophene-2-carboxamide 3-amino-N-[(5-chloro-2-thienyl)m…

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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)	3.16	5.85	-7.22	2	3	0	46	300.836	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.16	5.78	-35.37	3	3	1	48	301.844	4	↓ MOL2 SDF SMILES Flexibase

40333899

Analogs

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Popular Name: 4-amino-N-[(5-chloro-2-thienyl)methyl]-N,5-dimethyl-thiophene-2-carboxamide 4-amino-N-[(5-chloro-2-thienyl)m…

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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)	3.01	5.77	-10.43	2	3	0	46	300.836	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.01	5.55	-46.81	3	3	1	48	301.844	3	↓ MOL2 SDF SMILES Flexibase

40333900

Analogs

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Popular Name: 3-amino-N-[(5-chloro-2-thienyl)methyl]-N-methyl-thiophene-2-carboxamide 3-amino-N-[(5-chloro-2-thienyl)m…

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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	5.11	-7.48	2	3	0	46	286.809	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.79	4.97	-35.88	3	3	1	48	287.817	3	↓ MOL2 SDF SMILES Flexibase

40333955

Analogs

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Popular Name: N-allyl-4-amino-N-[(5-chloro-2-thienyl)methyl]-5-methyl-thiophene-2-carboxamide N-allyl-4-amino-N-[(5-chloro-2-t…

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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)	3.65	7.17	-9.94	2	3	0	46	326.874	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.65	6.95	-45.84	3	3	1	48	327.882	5	↓ MOL2 SDF SMILES Flexibase

40333957

Analogs

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Popular Name: N-allyl-3-amino-N-[(5-chloro-2-thienyl)methyl]thiophene-2-carboxamide N-allyl-3-amino-N-[(5-chloro-2-t…

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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	6.18	-7.29	2	3	0	46	312.847	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.43	6.02	-36.95	3	3	1	48	313.855	5	↓ MOL2 SDF SMILES Flexibase

40334049

Analogs

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Popular Name: 4-amino-N-[(5-bromo-2-thienyl)methyl]-N-ethyl-5-methyl-thiophene-2-carboxamide 4-amino-N-[(5-bromo-2-thienyl)me…

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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)	3.51	6.73	-7.53	2	3	0	46	359.314	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.51	6.52	-44.79	3	3	1	48	360.322	4	↓ MOL2 SDF SMILES Flexibase

40334050

Analogs

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Popular Name: 3-amino-N-[(5-bromo-2-thienyl)methyl]-N-ethyl-thiophene-2-carboxamide 3-amino-N-[(5-bromo-2-thienyl)me…

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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	5.95	-7.28	2	3	0	46	345.287	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.29	5.89	-35.43	3	3	1	48	346.295	4	↓ MOL2 SDF SMILES Flexibase

40335541

Analogs

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Popular Name: 4-amino-N-[(5-bromo-2-thienyl)methyl]-5-methyl-thiophene-2-carboxamide 4-amino-N-[(5-bromo-2-thienyl)me…

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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	4.17	-6.3	3	3	0	55	331.26	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.89	3.96	-45.42	4	3	1	57	332.268	3	↓ MOL2 SDF SMILES Flexibase

40335542

Analogs

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Popular Name: 3-amino-N-[(5-bromo-2-thienyl)methyl]thiophene-2-carboxamide 3-amino-N-[(5-bromo-2-thienyl)me…

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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	3.5	-6.39	3	3	0	55	317.233	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.67	3.34	-36.32	4	3	1	57	318.241	3	↓ MOL2 SDF SMILES Flexibase

52843469

Analogs

37854356
37854407

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Popular Name: N-(2-methoxyethyl)-4,5-dimethyl-N-(2-thienylmethyl)thiophene-2-carboxamide N-(2-methoxyethyl)-4,5-dimethyl-…

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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	7.77	-10.99	0	3	0	30	309.456	6	↓ MOL2 SDF SMILES Flexibase

53305325

Analogs

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Popular Name: 5-acetyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]thiophene-2-carboxamide 5-acetyl-N-[(1R)-1-(5-methyl-2-t…

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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	7.02	-8.36	1	3	0	46	293.413	4	↓ MOL2 SDF SMILES Flexibase

53305327

Analogs

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Popular Name: 5-acetyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]thiophene-2-carboxamide 5-acetyl-N-[(1S)-1-(5-methyl-2-t…

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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	7.02	-8.39	1	3	0	46	293.413	4	↓ MOL2 SDF SMILES Flexibase

53311123

Analogs

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Popular Name: 3-bromo-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]thiophene-2-carboxamide 3-bromo-N-[(1R)-1-(5-methyl-2-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.85	6.99	-7.71	1	2	0	29	330.272	3	↓ MOL2 SDF SMILES Flexibase

53311126

Analogs

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Popular Name: 3-bromo-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]thiophene-2-carboxamide 3-bromo-N-[(1S)-1-(5-methyl-2-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.85	6.99	-7.73	1	2	0	29	330.272	3	↓ MOL2 SDF SMILES Flexibase

53312625

Analogs

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Popular Name: N-methyl-N-[(1S)-1-(2-thienyl)ethyl]thiophene-2-carboxamide N-methyl-N-[(1S)-1-(2-thienyl)et…

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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)	3.13	6.73	-8.37	0	2	0	20	251.376	3	↓ MOL2 SDF SMILES Flexibase

53312628

Analogs

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Popular Name: N-methyl-N-[(1R)-1-(2-thienyl)ethyl]thiophene-2-carboxamide N-methyl-N-[(1R)-1-(2-thienyl)et…

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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)	3.13	6.76	-8.17	0	2	0	20	251.376	3	↓ MOL2 SDF SMILES Flexibase

53513736

Analogs

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Popular Name: N-[(5-ethyl-2-thienyl)methyl]-3-isopropyl-thiophene-2-carboxamide N-[(5-ethyl-2-thienyl)methyl]-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	8.28	-6.39	1	2	0	29	293.457	5	↓ MOL2 SDF SMILES Flexibase

36866294

Analogs

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Popular Name: 5-ethyl-4-methyl-N-(2-thienylmethyl)thiophene-2-carboxamide 5-ethyl-4-methyl-N-(2-thienylmet…

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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)	3.50	6.88	-6.82	1	2	0	29	265.403	4	↓ MOL2 SDF SMILES Flexibase

58316695

Analogs

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Popular Name: N-allyl-N-(2-thienylmethyl)thiophene-2-carboxamide N-allyl-N-(2-thienylmethyl)thiop…

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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	7.47	-8.17	0	2	0	20	263.387	5	↓ MOL2 SDF SMILES Flexibase

58342634

Analogs

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Popular Name: N,3-dimethyl-5-sulfamoyl-N-[(1S)-1-(2-thienyl)ethyl]thiophene-2-carboxamide N,3-dimethyl-5-sulfamoyl-N-[(1S)…

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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	2.41	-12.3	2	5	0	80	344.483	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.49	2.89	-41.09	1	5	-1	78	343.475	4	↓ MOL2 SDF SMILES Flexibase

58342635

Analogs

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Popular Name: N,3-dimethyl-5-sulfamoyl-N-[(1R)-1-(2-thienyl)ethyl]thiophene-2-carboxamide N,3-dimethyl-5-sulfamoyl-N-[(1R)…

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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	2.42	-12.71	2	5	0	80	344.483	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.49	2.9	-41.03	1	5	-1	78	343.475	4	↓ MOL2 SDF SMILES Flexibase

14240767

Analogs

25520564
37983104

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Popular Name: 5-methyl-4-propyl-N-(2-thienylmethyl)thiophene-2-carboxamide 5-methyl-4-propyl-N-(2-thienylme…

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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)	3.78	7.67	-6.93	1	2	0	29	279.43	5	↓ MOL2 SDF SMILES Flexibase

69351465

Analogs

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Popular Name: N,3-dimethyl-N-[(3-methyl-2-thienyl)methyl]-5-sulfamoyl-thiophene-2-carboxamide N,3-dimethyl-N-[(3-methyl-2-thie…

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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	2.68	-12.54	2	5	0	80	344.483	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.31	3.16	-41.21	1	5	-1	78	343.475	4	↓ MOL2 SDF SMILES Flexibase

55154308

Analogs

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Popular Name: 3-chloro-N-(3-hydroxypropyl)-N-[(5-methyl-2-thienyl)methyl]thiophene-2-carboxamide 3-chloro-N-(3-hydroxypropyl)-N-[…

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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	5.92	-12.23	1	3	0	41	329.874	6	↓ MOL2 SDF SMILES Flexibase

69737414

Analogs

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Popular Name: 3-methyl-N-[(5-methyl-2-thienyl)methyl]-5-sulfamoyl-thiophene-2-carboxamide 3-methyl-N-[(5-methyl-2-thienyl)…

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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	1.2	-11.84	3	5	0	89	330.456	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.91	1.69	-39.72	2	5	-1	87	329.448	4	↓ MOL2 SDF SMILES Flexibase

48783566

Analogs

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Popular Name: 3-methyl-N-[(5-methyl-2-thienyl)methyl]thiophene-2-carboxamide 3-methyl-N-[(5-methyl-2-thienyl)…

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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)	2.93	6.21	-6.65	1	2	0	29	251.376	3	↓ MOL2 SDF SMILES Flexibase

48790519

Analogs

37986599

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethyl-N-[(5-methyl-2-thienyl)methyl]thiophene-2-carboxamide 4,5-dimethyl-N-[(5-methyl-2-thie…

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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	6.91	-7.29	1	2	0	29	265.403	3	↓ MOL2 SDF SMILES Flexibase

48790632

Analogs

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Popular Name: 3-(methanesulfonamido)-N-[(5-methyl-2-thienyl)methyl]thiophene-2-carboxamide 3-(methanesulfonamido)-N-[(5-met…

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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	2.43	-13.34	2	5	0	75	330.456	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.71	2.39	-47.55	1	5	-1	77	329.448	5	↓ MOL2 SDF SMILES Flexibase

48793825

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-3-(methanesulfonamido)thiophene-2-carboxamide N-[(4-bromo-2-thienyl)methyl]-3-…

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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)	2.23	2.21	-13.09	2	5	0	75	395.325	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.23	2.18	-45.82	1	5	-1	77	394.317	5	↓ MOL2 SDF SMILES Flexibase

48937001

Analogs

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Popular Name: 3-ethyl-N-[(5-methyl-2-thienyl)methyl]thiophene-2-carboxamide 3-ethyl-N-[(5-methyl-2-thienyl)m…

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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	6.96	-6.45	1	2	0	29	265.403	4	↓ MOL2 SDF SMILES Flexibase

48938252

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-3-isopropyl-thiophene-2-carboxamide N-[(4-bromo-2-thienyl)methyl]-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	7.27	-6.06	1	2	0	29	344.299	4	↓ MOL2 SDF SMILES Flexibase

48941485

Analogs

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Popular Name: 5-bromo-N-[(1S)-2,2-dimethyl-1-(2-thienyl)propyl]thiophene-2-carboxamide 5-bromo-N-[(1S)-2,2-dimethyl-1-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.15	8	-4.05	1	2	0	29	358.326	4	↓ MOL2 SDF SMILES Flexibase

48941486

Analogs

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Popular Name: 5-bromo-N-[(1R)-2,2-dimethyl-1-(2-thienyl)propyl]thiophene-2-carboxamide 5-bromo-N-[(1R)-2,2-dimethyl-1-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.15	7.99	-4.05	1	2	0	29	358.326	4	↓ MOL2 SDF SMILES Flexibase

48942084

Analogs

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Popular Name: 3-ethyl-N-[(1S)-3-methyl-1-(2-thienyl)butyl]thiophene-2-carboxamide 3-ethyl-N-[(1S)-3-methyl-1-(2-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.01	8.87	-5.74	1	2	0	29	307.484	6	↓ MOL2 SDF SMILES Flexibase

48942085

Analogs

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Popular Name: 3-ethyl-N-[(1R)-3-methyl-1-(2-thienyl)butyl]thiophene-2-carboxamide 3-ethyl-N-[(1R)-3-methyl-1-(2-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.01	8.84	-4.53	1	2	0	29	307.484	6	↓ MOL2 SDF SMILES Flexibase

48945154

Analogs

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Popular Name: 5-ethyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]thiophene-2-carboxamide 5-ethyl-N-[(1S)-1-(5-methyl-2-th…

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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)	3.90	7.96	-6.47	1	2	0	29	279.43	4	↓ MOL2 SDF SMILES Flexibase

48945155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]thiophene-2-carboxamide 5-ethyl-N-[(1R)-1-(5-methyl-2-th…

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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)	3.90	7.96	-6.43	1	2	0	29	279.43	4	↓ MOL2 SDF SMILES Flexibase

48945176

Analogs

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Popular Name: methyl methyl

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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)	3.18	7.19	-7.35	1	4	0	55	309.412	5	↓ MOL2 SDF SMILES Flexibase

48945177

Analogs

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Popular Name: methyl methyl

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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)	3.18	7.2	-7.36	1	4	0	55	309.412	5	↓ MOL2 SDF SMILES Flexibase

48945252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]thiophene-2-carboxamide 3-ethyl-N-[(1S)-1-(5-methyl-2-th…

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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)	3.95	7.8	-6.15	1	2	0	29	279.43	4	↓ MOL2 SDF SMILES Flexibase

48945253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]thiophene-2-carboxamide 3-ethyl-N-[(1R)-1-(5-methyl-2-th…

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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)	3.95	7.8	-6.16	1	2	0	29	279.43	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 7368
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 = 7368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7368&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": "7368"        

    });
</script>

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