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)	3.95	8.53	-65.99	3	6	1	80	450.6	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.95	6.06	-20.62	2	6	0	79	449.592	10	↓ MOL2 SDF SMILES Flexibase

22766870

Analogs

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Popular Name: (2S)-N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-4-methyl-2-(p-tolylsulfonylamino)pentanamide (2S)-N-[(2S)-2-dimethylamino-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)	3.95	8.76	-56.34	3	6	1	80	450.6	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.95	6.65	-17.03	2	6	0	79	449.592	10	↓ MOL2 SDF SMILES Flexibase

22766873

Analogs

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Popular Name: (2R)-N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-4-methyl-2-(p-tolylsulfonylamino)pentanamide (2R)-N-[(2R)-2-dimethylamino-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)	3.95	8.43	-55.48	3	6	1	80	450.6	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.95	6.33	-18.08	2	6	0	79	449.592	10	↓ MOL2 SDF SMILES Flexibase

22766877

Analogs

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Popular Name: (2S)-N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-4-methyl-2-(p-tolylsulfonylamino)pentanamide (2S)-N-[(2R)-2-dimethylamino-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)	3.95	9.25	-61.07	3	6	1	80	450.6	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.95	7.03	-14.24	2	6	0	79	449.592	10	↓ MOL2 SDF SMILES Flexibase

60323353

Analogs

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Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-[2-(m-tolyl)ethyl]acetamide 2-[benzenesulfonyl(methyl)amino]…

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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)	3.09	6.46	-13.77	1	5	0	66	346.452	7	↓ MOL2 SDF SMILES Flexibase

14236248

Analogs

14236252
14236256
14236260
25079549
25079560

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Popular Name: (2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2S)-2-dimethylamino-2-phenyl-ethyl]propanamide (2R)-2-[(4-acetamidophenyl)sulfo…

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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)	1.27	4.17	-62.23	4	8	1	109	433.554	9	↓ MOL2 SDF SMILES Flexibase

14236252

Analogs

14236256
14236260
25079549
25079560
25079565

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Popular Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2S)-2-dimethylamino-2-phenyl-ethyl]propanamide (2S)-2-[(4-acetamidophenyl)sulfo…

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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)	1.27	4.46	-54.66	4	8	1	109	433.554	9	↓ MOL2 SDF SMILES Flexibase

14236256

Analogs

14236260
25079549
25079560
25079565
25079979

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Popular Name: (2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2R)-2-dimethylamino-2-phenyl-ethyl]propanamide (2R)-2-[(4-acetamidophenyl)sulfo…

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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)	1.27	4.12	-63.09	4	8	1	109	433.554	9	↓ MOL2 SDF SMILES Flexibase

14236260

Analogs

25079549
25079560
25079565
25079979
25079984

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2R)-2-dimethylamino-2-phenyl-ethyl]propanamide (2S)-2-[(4-acetamidophenyl)sulfo…

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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)	1.27	4.2	-57.67	4	8	1	109	433.554	9	↓ MOL2 SDF SMILES Flexibase

14239727

Analogs

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Popular Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(methyl-(p-tolylsulfonyl)amino)acetamide N-[2-[4-(difluoromethoxy)phenyl]…

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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)	3.73	6.06	-17.27	1	6	0	76	412.458	9	↓ MOL2 SDF SMILES Flexibase

14242052

Analogs

14242053

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Popular Name: (2R)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide (2R)-N-[2-[4-(difluoromethoxy)ph…

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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)	3.02	4.02	-19.15	2	6	0	85	416.421	9	↓ MOL2 SDF SMILES Flexibase

14242053

Analogs

14242052

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Popular Name: (2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide (2S)-N-[2-[4-(difluoromethoxy)ph…

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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)	3.02	4.1	-17.93	2	6	0	85	416.421	9	↓ MOL2 SDF SMILES Flexibase

14244069

Analogs

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Popular Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[(4-acetamidophenyl)sulfonyl-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)	1.89	4.05	-20.8	2	8	0	105	419.503	9	↓ MOL2 SDF SMILES Flexibase

14577366

Analogs

16599212
16599213
25093357
25093360

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-diethylamino-2-phenyl-ethyl]-2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetamide N-[(2R)-2-diethylamino-2-phenyl-…

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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	8.4	-47.85	2	6	1	71	422.546	10	↓ MOL2 SDF SMILES Flexibase

14577367

Analogs

16599212
16599213
25093357
25093360
25421832

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-diethylamino-2-phenyl-ethyl]-2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetamide N-[(2S)-2-diethylamino-2-phenyl-…

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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	8.13	-46.97	2	6	1	71	422.546	10	↓ MOL2 SDF SMILES Flexibase

14804057

Analogs

34972915

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Popular Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-2-(p-tolylsulfonylamino)butanamide (2S)-N-[2-(3,4-dimethoxyphenyl)e…

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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)	3.37	7.73	-18.25	1	7	0	85	448.585	10	↓ MOL2 SDF SMILES Flexibase

68959013

Analogs

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Popular Name: (2S)-4-methylsulfanyl-N-[(2S)-2-phenylpropyl]-2-(p-tolylsulfonylamino)butanamide (2S)-4-methylsulfanyl-N-[(2S)-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)	3.95	7.83	-14.43	2	5	0	75	420.6	10	↓ MOL2 SDF SMILES Flexibase

68959016

Analogs

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Popular Name: (2R)-4-methylsulfanyl-N-[(2S)-2-phenylpropyl]-2-(p-tolylsulfonylamino)butanamide (2R)-4-methylsulfanyl-N-[(2S)-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)	3.95	7.77	-18.24	2	5	0	75	420.6	10	↓ MOL2 SDF SMILES Flexibase

68959021

Analogs

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Popular Name: (2S)-4-methylsulfanyl-N-[(2R)-2-phenylpropyl]-2-(p-tolylsulfonylamino)butanamide (2S)-4-methylsulfanyl-N-[(2R)-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)	3.95	7.84	-14.48	2	5	0	75	420.6	10	↓ MOL2 SDF SMILES Flexibase

68959026

Analogs

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Popular Name: (2R)-4-methylsulfanyl-N-[(2R)-2-phenylpropyl]-2-(p-tolylsulfonylamino)butanamide (2R)-4-methylsulfanyl-N-[(2R)-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)	3.95	7.78	-18.19	2	5	0	75	420.6	10	↓ MOL2 SDF SMILES Flexibase

69147998

Analogs

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Popular Name: (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-phenethyl-butanamide (2R)-2-[(2-fluorophenyl)sulfonyl…

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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	5.67	-17.29	2	5	0	75	378.469	8	↓ MOL2 SDF SMILES Flexibase

69148005

Analogs

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Popular Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-phenethyl-acetamide 2-[[2-chloro-5-(trifluoromethyl)…

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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)	3.92	4.84	-14.61	2	5	0	75	420.84	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.92	4.96	-45.35	1	5	-1	77	419.832	8	↓ MOL2 SDF SMILES Flexibase

69148018

Analogs

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Popular Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-phenethyl-acetamide 2-[[4-chloro-3-(trifluoromethyl)…

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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)	3.92	5.2	-17.36	2	5	0	75	420.84	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.92	4.81	-41.93	1	5	-1	77	419.832	8	↓ MOL2 SDF SMILES Flexibase

69148022

Analogs

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Popular Name: 2-[(4-bromo-2-chloro-phenyl)sulfonylamino]-N-phenethyl-acetamide 2-[(4-bromo-2-chloro-phenyl)sulf…

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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)	3.83	4.45	-12.36	2	5	0	75	431.739	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.83	4.58	-44.01	1	5	-1	77	430.731	7	↓ MOL2 SDF SMILES Flexibase

69231702

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]aceta N-[(2R)-2-(dimethylamino)-2-(3-f…

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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)	3.24	5.97	-55.79	3	6	1	80	448.462	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	3.44	-17.62	2	6	0	79	447.454	9	↓ MOL2 SDF SMILES Flexibase

69231705

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]aceta N-[(2S)-2-(dimethylamino)-2-(3-f…

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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)	3.24	5.98	-55.94	3	6	1	80	448.462	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.24	3.55	-15.94	2	6	0	79	447.454	9	↓ MOL2 SDF SMILES Flexibase

65577148

Analogs

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Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-[2-(2,4-dimethylphenyl)ethyl]acetamide 2-[benzenesulfonyl(methyl)amino]…

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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)	3.49	6.92	-13.82	1	5	0	66	360.479	7	↓ MOL2 SDF SMILES Flexibase

56146668

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[(1S)-2-(2-fluorophenyl)-1-methyl-ethyl]acetamide 2-[(4-chlorophenyl)sulfonyl-meth…

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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)	3.79	7.3	-14.76	1	5	0	66	398.887	7	↓ MOL2 SDF SMILES Flexibase

56146669

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[(1R)-2-(2-fluorophenyl)-1-methyl-ethyl]acetamide 2-[(4-chlorophenyl)sulfonyl-meth…

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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)	3.79	7.49	-10.59	1	5	0	66	398.887	7	↓ MOL2 SDF SMILES Flexibase

66992558

Analogs

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Popular Name: (2R)-N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (2R)-N-[(2R)-2-(dimethylamino)-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)	2.17	5.14	-49.92	3	6	1	80	394.492	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.17	2.62	-14.3	2	6	0	79	393.484	8	↓ MOL2 SDF SMILES Flexibase

66992561

Analogs

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Popular Name: (2R)-N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (2R)-N-[(2S)-2-(dimethylamino)-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)	2.17	5.17	-48.83	3	6	1	80	394.492	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.17	3.1	-14.71	2	6	0	79	393.484	8	↓ MOL2 SDF SMILES Flexibase

41778361

Analogs

41778363
43700709
43700710
43700711
43700712

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-phenethyl-butanamide (2S)-2-(benzenesulfonamido)-4-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)	2.70	6.56	-15.02	2	5	0	75	392.546	10	↓ MOL2 SDF SMILES Flexibase

41778363

Analogs

43700709
43700710
43700711
43700712
41778361

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Popular Name: (2R)-2-(benzenesulfonamido)-4-methylsulfanyl-N-phenethyl-butanamide (2R)-2-(benzenesulfonamido)-4-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)	2.70	6.43	-19.18	2	5	0	75	392.546	10	↓ MOL2 SDF SMILES Flexibase

41778415

Analogs

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Popular Name: 2-[(4-cyanophenyl)sulfonylamino]-N-phenethyl-acetamide 2-[(4-cyanophenyl)sulfonylamino]…

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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	4.17	-18.3	2	6	0	99	343.408	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.17	3.79	-43.6	1	6	-1	101	342.4	7	↓ MOL2 SDF SMILES Flexibase

41778417

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Popular Name: 2-[(3-cyanophenyl)sulfonylamino]-N-phenethyl-acetamide 2-[(3-cyanophenyl)sulfonylamino]…

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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)	2.15	4.17	-20.48	2	6	0	99	343.408	7	↓ MOL2 SDF SMILES Flexibase

41778419

Analogs

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Popular Name: 2-[(3-bromophenyl)sulfonylamino]-N-phenethyl-acetamide 2-[(3-bromophenyl)sulfonylamino]…

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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)	3.20	4.4	-16.55	2	5	0	75	397.294	7	↓ MOL2 SDF SMILES Flexibase

41778421

Analogs

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Popular Name: N-phenethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]acetamide N-phenethyl-2-[(2,3,4-trifluorop…

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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)	2.76	3.65	-13.73	2	5	0	75	372.368	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.76	3.58	-45.64	1	5	-1	77	371.36	7	↓ MOL2 SDF SMILES Flexibase

41778425

Analogs

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Popular Name: N-phenethyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide N-phenethyl-2-[[4-(trifluorometh…

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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	3.57	-15.83	2	6	0	85	402.394	9	↓ MOL2 SDF SMILES Flexibase

41778431

Analogs

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Popular Name: 2-[(2-bromophenyl)sulfonylamino]-N-phenethyl-acetamide 2-[(2-bromophenyl)sulfonylamino]…

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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	4.53	-16.08	2	5	0	75	397.294	7	↓ MOL2 SDF SMILES Flexibase

41778433

Analogs

36781356

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Popular Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-N-phenethyl-acetamide 2-[(3,4-dimethylphenyl)sulfonyla…

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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)	3.24	5	-15.7	2	5	0	75	346.452	7	↓ MOL2 SDF SMILES Flexibase

41778437

Analogs

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Popular Name: N-phenethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide N-phenethyl-2-[[3-(trifluorometh…

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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	4.79	-17.7	2	5	0	75	386.395	8	↓ MOL2 SDF SMILES Flexibase

41778441

Analogs

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Popular Name: 2-[(3-chlorophenyl)sulfonylamino]-N-phenethyl-acetamide 2-[(3-chlorophenyl)sulfonylamino…

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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)	3.07	4.29	-16.61	2	5	0	75	352.843	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 87664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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