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)	1.73	2.63	-14.68	3	5	0	84	306.387	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.73	3.39	-50.2	2	5	-1	86	305.379	5	↓ MOL2 SDF SMILES Flexibase

40335353

Analogs

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Popular Name: 1-(3-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methyl-methanesulfonamide 1-(3-aminophenyl)-N-[(2-hydroxyp…

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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)	1.70	2.62	-14.65	3	5	0	84	306.387	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.70	3.38	-49.75	2	5	-1	86	305.379	5	↓ MOL2 SDF SMILES Flexibase

40335460

Analogs

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Popular Name: 1-(4-aminophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-methanesulfonamide 1-(4-aminophenyl)-N-[(3-hydroxyp…

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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)	1.28	2.21	-15.14	3	5	0	84	306.387	5	↓ MOL2 SDF SMILES Flexibase

40335467

Analogs

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Popular Name: 1-(3-aminophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-methanesulfonamide 1-(3-aminophenyl)-N-[(3-hydroxyp…

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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)	1.26	2.2	-15.22	3	5	0	84	306.387	5	↓ MOL2 SDF SMILES Flexibase

52899277

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-1-phenyl-methanesulfonamide N-[[4-(2-aminoethyl)phenyl]methy…

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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)	1.45	4.05	-55.01	4	4	1	74	305.423	7	↓ MOL2 SDF SMILES Flexibase

19988741

Analogs

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Popular Name: 1-(2-cyanophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide 1-(2-cyanophenyl)-N-[(1R)-1-phen…

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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)	2.73	6.16	-16.07	1	4	0	70	300.383	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.73	5.83	-46.68	0	4	-1	72	299.375	5	↓ MOL2 SDF SMILES Flexibase

19988745

Analogs

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Popular Name: 1-(2-cyanophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide 1-(2-cyanophenyl)-N-[(1S)-1-phen…

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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)	2.73	6.19	-14	1	4	0	70	300.383	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.73	5.89	-45.6	0	4	-1	72	299.375	5	↓ MOL2 SDF SMILES Flexibase

19997216

Analogs

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Popular Name: 1-[2-(aminomethyl)phenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide 1-[2-(aminomethyl)phenyl]-N-[(2-…

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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)	1.72	3.38	-57.56	4	4	1	74	309.386	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.72	2.99	-12.3	3	4	0	72	308.378	6	↓ MOL2 SDF SMILES Flexibase

20001171

Analogs

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Popular Name: 1-(4-aminophenyl)-N-methyl-N-(p-tolylmethyl)methanesulfonamide 1-(4-aminophenyl)-N-methyl-N-(p-…

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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)	2.24	5.58	-11.98	2	4	0	63	304.415	5	↓ MOL2 SDF SMILES Flexibase

36128738

Analogs

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Popular Name: 1-(4-aminophenyl)-N-methyl-N-(o-tolylmethyl)methanesulfonamide 1-(4-aminophenyl)-N-methyl-N-(o-…

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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)	2.19	5.68	-10.99	2	4	0	63	304.415	5	↓ MOL2 SDF SMILES Flexibase

36128749

Analogs

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Popular Name: 1-(3-aminophenyl)-N-methyl-N-(o-tolylmethyl)methanesulfonamide 1-(3-aminophenyl)-N-methyl-N-(o-…

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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)	2.16	5.66	-10.97	2	4	0	63	304.415	5	↓ MOL2 SDF SMILES Flexibase

36128760

Analogs

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Popular Name: 1-(4-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-methanesulfonamide 1-(4-aminophenyl)-N-[(2-fluoroph…

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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)	1.90	4.94	-11.9	2	4	0	63	308.378	5	↓ MOL2 SDF SMILES Flexibase

36128771

Analogs

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Popular Name: 1-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-methanesulfonamide 1-(3-aminophenyl)-N-[(2-fluoroph…

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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)	1.88	4.93	-11.81	2	4	0	63	308.378	5	↓ MOL2 SDF SMILES Flexibase

36128782

Analogs

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Popular Name: 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-methanesulfonamide 1-(4-aminophenyl)-N-[(4-fluoroph…

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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)	1.95	5.13	-14.05	2	4	0	63	308.378	5	↓ MOL2 SDF SMILES Flexibase

36128793

Analogs

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Popular Name: 1-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-methanesulfonamide 1-(3-aminophenyl)-N-[(4-fluoroph…

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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)	1.93	5.12	-14.06	2	4	0	63	308.378	5	↓ MOL2 SDF SMILES Flexibase

13008036

Analogs

13008038

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Popular Name: 1-(4-fluorophenyl)-N-[(1R)-1-(o-tolyl)ethyl]methanesulfonamide 1-(4-fluorophenyl)-N-[(1R)-1-(o-…

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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)	3.59	6.41	-13.09	1	3	0	46	307.39	5	↓ MOL2 SDF SMILES Flexibase

13008038

Analogs

13008036

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Popular Name: 1-(4-fluorophenyl)-N-[(1S)-1-(o-tolyl)ethyl]methanesulfonamide 1-(4-fluorophenyl)-N-[(1S)-1-(o-…

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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)	3.59	6.55	-11.09	1	3	0	46	307.39	5	↓ MOL2 SDF SMILES Flexibase

53667587

Analogs

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Popular Name: N-methyl-1-(4-nitrophenyl)-N-[(1R)-1-(p-tolyl)ethyl]methanesulfonamide N-methyl-1-(4-nitrophenyl)-N-[(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)	3.68	8.67	-16.65	0	6	0	83	348.424	6	↓ MOL2 SDF SMILES Flexibase

53667588

Analogs

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Popular Name: N-methyl-1-(4-nitrophenyl)-N-[(1S)-1-(p-tolyl)ethyl]methanesulfonamide N-methyl-1-(4-nitrophenyl)-N-[(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)	3.68	9.01	-14.21	0	6	0	83	348.424	6	↓ MOL2 SDF SMILES Flexibase

13014336

Analogs

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Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-phenyl-methanesulfonamide N-methyl-N-[(4-methylsulfanylphe…

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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)	3.14	7.95	-11.37	0	3	0	37	321.467	6	↓ MOL2 SDF SMILES Flexibase

24987027

Analogs

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Popular Name: 1-(2-cyanophenyl)-N-[(4-cyanophenyl)methyl]-N-methyl-methanesulfonamide 1-(2-cyanophenyl)-N-[(4-cyanophe…

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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)	2.17	7.68	-17.18	0	5	0	85	325.393	5	↓ MOL2 SDF SMILES Flexibase

13668960

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]methanesulfonamide 1-(4-chlorophenyl)-N-[(1R)-1-(2,…

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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)	4.53	7.53	-12.56	1	3	0	46	337.872	5	↓ MOL2 SDF SMILES Flexibase

13668961

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]methanesulfonamide 1-(4-chlorophenyl)-N-[(1S)-1-(2,…

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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)	4.53	7.63	-10.93	1	3	0	46	337.872	5	↓ MOL2 SDF SMILES Flexibase

13669071

Analogs

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Popular Name: 1-(4-bromophenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]methanesulfonamide 1-(4-bromophenyl)-N-[(1R)-1-(3,4…

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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)	4.23	7.51	-16.46	1	5	0	65	442.375	9	↓ MOL2 SDF SMILES Flexibase

13669072

Analogs

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Popular Name: 1-(4-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]methanesulfonamide 1-(4-bromophenyl)-N-[(1S)-1-(3,4…

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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)	4.23	7.6	-14.94	1	5	0	65	442.375	9	↓ MOL2 SDF SMILES Flexibase

13669523

Analogs

25365672
37053315

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Popular Name: 1-(4-fluorophenyl)-N-(m-tolylmethyl)methanesulfonamide 1-(4-fluorophenyl)-N-(m-tolylmet…

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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)	3.05	5.96	-13	1	3	0	46	293.363	5	↓ MOL2 SDF SMILES Flexibase

13669673

Analogs

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Popular Name: N-(m-tolylmethyl)-1-(p-tolyl)methanesulfonamide N-(m-tolylmethyl)-1-(p-tolyl)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)	3.34	6.57	-12.13	1	3	0	46	289.4	5	↓ MOL2 SDF SMILES Flexibase

13669744

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]methanesulfonamide 1-(3-chlorophenyl)-N-[(1R)-1-(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)	4.08	7.4	-16.71	1	5	0	65	397.924	9	↓ MOL2 SDF SMILES Flexibase

13669745

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]methanesulfonamide 1-(3-chlorophenyl)-N-[(1S)-1-(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)	4.08	7.48	-14.88	1	5	0	65	397.924	9	↓ MOL2 SDF SMILES Flexibase

13669853

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanesulfonamide 1-(2-fluorophenyl)-N-[(3,4,5-tri…

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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)	2.21	4.37	-18.28	1	6	0	74	369.414	8	↓ MOL2 SDF SMILES Flexibase

13670363

Analogs

10543881

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Popular Name: 1-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanesulfonamide 1-(4-chlorophenyl)-N-[(3,4,5-tri…

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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)	2.78	4.86	-18.61	1	6	0	74	385.869	8	↓ MOL2 SDF SMILES Flexibase

13670377

Analogs

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Popular Name: 1-(2,4-dichlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanesulfonamide 1-(2,4-dichlorophenyl)-N-[(3,4,5…

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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)	3.38	5.31	-17.48	1	6	0	74	420.314	8	↓ MOL2 SDF SMILES Flexibase

13670425

Analogs

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Popular Name: N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-phenyl-methanesulfonamide N-[(1R)-1-(4-tert-butylphenyl)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)	4.73	8.17	-11.79	1	3	0	46	331.481	6	↓ MOL2 SDF SMILES Flexibase

13670426

Analogs

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Popular Name: N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-phenyl-methanesulfonamide N-[(1S)-1-(4-tert-butylphenyl)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)	4.73	8.26	-10.75	1	3	0	46	331.481	6	↓ MOL2 SDF SMILES Flexibase

13670471

Analogs

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Popular Name: 1-(2-chlorophenyl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]methanesulfonamide 1-(2-chlorophenyl)-N-[(1R)-1-(2,…

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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)	4.48	7.46	-11.67	1	3	0	46	337.872	5	↓ MOL2 SDF SMILES Flexibase

13670472

Analogs

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Popular Name: 1-(2-chlorophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]methanesulfonamide 1-(2-chlorophenyl)-N-[(1S)-1-(2,…

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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)	4.48	7.61	-10.14	1	3	0	46	337.872	5	↓ MOL2 SDF SMILES Flexibase

13670507

Analogs

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Popular Name: N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide N-[(1R)-1-(3,4-diethoxyphenyl)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)	3.59	6.96	-17.15	1	5	0	65	381.469	9	↓ MOL2 SDF SMILES Flexibase

13670508

Analogs

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Popular Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide N-[(1S)-1-(3,4-diethoxyphenyl)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)	3.59	7.04	-15.52	1	5	0	65	381.469	9	↓ MOL2 SDF SMILES Flexibase

13670751

Analogs

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Popular Name: 1-(2-chlorophenyl)-N-[(3-isopropoxyphenyl)methyl]methanesulfonamide 1-(2-chlorophenyl)-N-[(3-isoprop…

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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)	3.87	6.54	-11.8	1	4	0	55	353.871	7	↓ MOL2 SDF SMILES Flexibase

13671014

Analogs

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Popular Name: 1-(2-chloro-6-fluoro-phenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]methanesulfonamide 1-(2-chloro-6-fluoro-phenyl)-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)	4.17	7.36	-15.44	1	5	0	65	415.914	9	↓ MOL2 SDF SMILES Flexibase

13671015

Analogs

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Popular Name: 1-(2-chloro-6-fluoro-phenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]methanesulfonamide 1-(2-chloro-6-fluoro-phenyl)-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)	4.17	7.47	-14.31	1	5	0	65	415.914	9	↓ MOL2 SDF SMILES Flexibase

13671254

Analogs

39971261
39971262
10543994
10543995

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Popular Name: N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1-phenyl-methanesulfonamide N-[(1R)-1-(3,4-diethoxyphenyl)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)	3.42	6.89	-16.05	1	5	0	65	363.479	9	↓ MOL2 SDF SMILES Flexibase

13671255

Analogs

39971261
39971262
10543994
10543995

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Popular Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1-phenyl-methanesulfonamide N-[(1S)-1-(3,4-diethoxyphenyl)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)	3.42	6.97	-14.67	1	5	0	65	363.479	9	↓ MOL2 SDF SMILES Flexibase

13671997

Analogs

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Popular Name: N-[(3-isopropoxyphenyl)methyl]-1-(m-tolyl)methanesulfonamide N-[(3-isopropoxyphenyl)methyl]-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)	3.66	6.74	-12.61	1	4	0	55	333.453	7	↓ MOL2 SDF SMILES Flexibase

13672276

Analogs

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Popular Name: N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(3-chlorophenyl)methanesulfonamide N-[(1R)-1-(4-tert-butylphenyl)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)	5.39	8.68	-12.27	1	3	0	46	365.926	6	↓ MOL2 SDF SMILES Flexibase

13672278

Analogs

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Popular Name: N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-(3-chlorophenyl)methanesulfonamide N-[(1S)-1-(4-tert-butylphenyl)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)	5.39	8.77	-10.92	1	3	0	46	365.926	6	↓ MOL2 SDF SMILES Flexibase

13672472

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]methanesulfonamide 1-(3,4-dichlorophenyl)-N-[(1R)-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)	5.13	7.96	-13.33	1	3	0	46	372.317	5	↓ MOL2 SDF SMILES Flexibase

13672474

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]methanesulfonamide 1-(3,4-dichlorophenyl)-N-[(1S)-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)	5.13	8.12	-11.85	1	3	0	46	372.317	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16901
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 = 16901 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=16901&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": "16901"        

    });
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