ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	0.61	-9.09	4	5	0	92	282.365	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.93	1.37	-42.33	3	5	-1	95	281.357	5	↓ MOL2 SDF SMILES Flexibase

49234528

Analogs

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Popular Name: 3-amino-N-(dicyclopropylmethyl)-4-fluoro-benzenesulfonamide 3-amino-N-(dicyclopropylmethyl)-…

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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	3.43	-7.77	3	4	0	72	284.356	5	↓ MOL2 SDF SMILES Flexibase

49234530

Analogs

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Popular Name: 3-amino-N-(dicyclopropylmethyl)-4-methoxy-benzenesulfonamide 3-amino-N-(dicyclopropylmethyl)-…

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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)	2.20	2.76	-8.83	3	5	0	81	296.392	6	↓ MOL2 SDF SMILES Flexibase

49234531

Analogs

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Popular Name: 3-amino-5-chloro-N-(dicyclopropylmethyl)-4-methyl-benzenesulfonamide 3-amino-5-chloro-N-(dicyclopropy…

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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	4.55	-8.24	3	4	0	72	314.838	5	↓ MOL2 SDF SMILES Flexibase

49234532

Analogs

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Popular Name: 5-amino-N-(dicyclopropylmethyl)-2-methoxy-benzenesulfonamide 5-amino-N-(dicyclopropylmethyl)-…

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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)	1.79	3.2	-10.67	3	5	0	81	296.392	6	↓ MOL2 SDF SMILES Flexibase

49234533

Analogs

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Popular Name: 5-amino-N-(dicyclopropylmethyl)-2,4-difluoro-benzenesulfonamide 5-amino-N-(dicyclopropylmethyl)-…

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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)	2.40	3.23	-7.74	3	4	0	72	302.346	5	↓ MOL2 SDF SMILES Flexibase

49234534

Analogs

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Popular Name: 3-amino-N-(dicyclopropylmethyl)-4,5-dimethyl-benzenesulfonamide 3-amino-N-(dicyclopropylmethyl)-…

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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)	2.97	4.66	-8.8	3	4	0	72	294.42	5	↓ MOL2 SDF SMILES Flexibase

49234535

Analogs

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Popular Name: 5-amino-N-(dicyclopropylmethyl)-2,3-dimethyl-benzenesulfonamide 5-amino-N-(dicyclopropylmethyl)-…

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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)	2.56	4.46	-8.71	3	4	0	72	294.42	5	↓ MOL2 SDF SMILES Flexibase

49234536

Analogs

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Popular Name: 2-amino-N-(dicyclopropylmethyl)-4-methoxy-benzenesulfonamide 2-amino-N-(dicyclopropylmethyl)-…

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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)	2.20	2.87	-8.9	3	5	0	81	296.392	6	↓ MOL2 SDF SMILES Flexibase

49234537

Analogs

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Popular Name: 2-amino-N-(dicyclopropylmethyl)-4,5-dimethyl-benzenesulfonamide 2-amino-N-(dicyclopropylmethyl)-…

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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)	2.97	4.75	-8.8	3	4	0	72	294.42	5	↓ MOL2 SDF SMILES Flexibase

49234538

Analogs

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Popular Name: 3-amino-N-(dicyclopropylmethyl)-2-methyl-benzenesulfonamide 3-amino-N-(dicyclopropylmethyl)-…

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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)	2.57	4.2	-8.86	3	4	0	72	280.393	5	↓ MOL2 SDF SMILES Flexibase

49234540

Analogs

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Popular Name: 2-amino-4-chloro-N-(dicyclopropylmethyl)benzenesulfonamide 2-amino-4-chloro-N-(dicyclopropy…

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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)	2.82	4.09	-7.48	3	4	0	72	300.811	5	↓ MOL2 SDF SMILES Flexibase

49234541

Analogs

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Popular Name: 5-amino-N-(dicyclopropylmethyl)-2-fluoro-benzenesulfonamide 5-amino-N-(dicyclopropylmethyl)-…

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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	3.1	-9.64	3	4	0	72	284.356	5	↓ MOL2 SDF SMILES Flexibase

49234542

Analogs

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Popular Name: 5-amino-N-(dicyclopropylmethyl)-2-ethyl-benzenesulfonamide 5-amino-N-(dicyclopropylmethyl)-…

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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)	2.65	5.02	-8.38	3	4	0	72	294.42	6	↓ MOL2 SDF SMILES Flexibase

49234543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dichloro-N-(dicyclopropylmethyl)benzenesulfonamide 2-amino-4,6-dichloro-N-(dicyclop…

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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	5.16	-6.52	3	4	0	72	335.256	5	↓ MOL2 SDF SMILES Flexibase

49234544

Analogs

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Popular Name: 3-amino-N-(dicyclopropylmethyl)-5-methyl-benzenesulfonamide 3-amino-N-(dicyclopropylmethyl)-…

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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	4	-8.54	3	4	0	72	280.393	5	↓ MOL2 SDF SMILES Flexibase

49234546

Analogs

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Popular Name: 4-amino-2-bromo-N-(dicyclopropylmethyl)benzenesulfonamide 4-amino-2-bromo-N-(dicyclopropyl…

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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)	2.55	4	-8.79	3	4	0	72	345.262	5	↓ MOL2 SDF SMILES Flexibase

49234547

Analogs

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Popular Name: 4-amino-2-cyano-N-(dicyclopropylmethyl)benzenesulfonamide 4-amino-2-cyano-N-(dicyclopropyl…

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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)	1.49	3.49	-12.17	3	5	0	96	291.376	5	↓ MOL2 SDF SMILES Flexibase

49234548

Analogs

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Popular Name: 2-amino-N-(dicyclopropylmethyl)-4-methyl-benzenesulfonamide 2-amino-N-(dicyclopropylmethyl)-…

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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)	2.59	4.24	-8.56	3	4	0	72	280.393	5	↓ MOL2 SDF SMILES Flexibase

49234549

Analogs

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Popular Name: 4-amino-N-(dicyclopropylmethyl)-2-methyl-benzenesulfonamide 4-amino-N-(dicyclopropylmethyl)-…

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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	4.11	-9.02	3	4	0	72	280.393	5	↓ MOL2 SDF SMILES Flexibase

49234550

Analogs

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Popular Name: 6-amino-N-(dicyclopropylmethyl)-2,3-dimethyl-benzenesulfonamide 6-amino-N-(dicyclopropylmethyl)-…

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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)	2.97	5.01	-7.2	3	4	0	72	294.42	5	↓ MOL2 SDF SMILES Flexibase

49234551

Analogs

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Popular Name: 4-amino-2,6-dichloro-N-(dicyclopropylmethyl)benzenesulfonamide 4-amino-2,6-dichloro-N-(dicyclop…

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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	4.51	-9.13	3	4	0	72	335.256	5	↓ MOL2 SDF SMILES Flexibase

49234552

Analogs

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Popular Name: 5-amino-3-chloro-N-(dicyclopropylmethyl)-2-fluoro-benzenesulfonamide 5-amino-3-chloro-N-(dicyclopropy…

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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)	2.51	3.6	-9.18	3	4	0	72	318.801	5	↓ MOL2 SDF SMILES Flexibase

49234553

Analogs

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Popular Name: 4-amino-N-(dicyclopropylmethyl)-2-methoxy-benzenesulfonamide 4-amino-N-(dicyclopropylmethyl)-…

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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)	1.79	3.2	-11.07	3	5	0	81	296.392	6	↓ MOL2 SDF SMILES Flexibase

49234554

Analogs

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Popular Name: 2-amino-4-bromo-N-(dicyclopropylmethyl)benzenesulfonamide 2-amino-4-bromo-N-(dicyclopropyl…

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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)	2.95	4.19	-7.42	3	4	0	72	345.262	5	↓ MOL2 SDF SMILES Flexibase

49234555

Analogs

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Popular Name: 4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide 4-amino-2,6-dibromo-N-(dicyclopr…

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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)	3.28	4.76	-8.57	3	4	0	72	424.158	5	↓ MOL2 SDF SMILES Flexibase

49234556

Analogs

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Popular Name: 2-amino-4,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide 2-amino-4,6-dibromo-N-(dicyclopr…

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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)	3.69	5.33	-6.07	3	4	0	72	424.158	5	↓ MOL2 SDF SMILES Flexibase

49234557

Analogs

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Popular Name: 3-amino-N-(dicyclopropylmethyl)-2,6-dimethyl-benzenesulfonamide 3-amino-N-(dicyclopropylmethyl)-…

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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)	2.97	4.92	-7.71	3	4	0	72	294.42	5	↓ MOL2 SDF SMILES Flexibase

49234558

Analogs

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Popular Name: 3-amino-N-(dicyclopropylmethyl)-4-ethyl-benzenesulfonamide 3-amino-N-(dicyclopropylmethyl)-…

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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)	3.06	4.87	-8.28	3	4	0	72	294.42	6	↓ MOL2 SDF SMILES Flexibase

49234559

Analogs

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Popular Name: 2-amino-N-(dicyclopropylmethyl)-6-methyl-benzenesulfonamide 2-amino-N-(dicyclopropylmethyl)-…

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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)	2.57	4.7	-7.24	3	4	0	72	280.393	5	↓ MOL2 SDF SMILES Flexibase

49234564

Analogs

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Popular Name: 4-amino-N-(dicyclopropylmethyl)-2,6-difluoro-benzenesulfonamide 4-amino-N-(dicyclopropylmethyl)-…

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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)	1.99	3.56	-11.44	3	4	0	72	302.346	5	↓ MOL2 SDF SMILES Flexibase

49234565

Analogs

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Popular Name: 2-amino-N-(dicyclopropylmethyl)-5-fluoro-benzenesulfonamide 2-amino-N-(dicyclopropylmethyl)-…

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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	3.61	-9.56	3	4	0	72	284.356	5	↓ MOL2 SDF SMILES Flexibase

49234566

Analogs

42551722
42551725
42551728

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Popular Name: 2-amino-5-chloro-N-(dicyclopropylmethyl)benzenesulfonamide 2-amino-5-chloro-N-(dicyclopropy…

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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)	2.82	4.06	-8.88	3	4	0	72	300.811	5	↓ MOL2 SDF SMILES Flexibase

49234567

Analogs

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Popular Name: 2-amino-5-bromo-N-(dicyclopropylmethyl)benzenesulfonamide 2-amino-5-bromo-N-(dicyclopropyl…

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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)	2.95	4.17	-8.81	3	4	0	72	345.262	5	↓ MOL2 SDF SMILES Flexibase

49234568

Analogs

40314771
40314773

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Popular Name: 5-amino-2-chloro-N-(dicyclopropylmethyl)-4-fluoro-benzenesulfonamide 5-amino-2-chloro-N-(dicyclopropy…

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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)	2.91	3.8	-6.98	3	4	0	72	318.801	5	↓ MOL2 SDF SMILES Flexibase

49235786

Analogs

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Popular Name: 2-[4-(dicyclopropylmethylsulfamoyl)phenyl]acetic 2-[4-(dicyclopropylmethylsulfamo…

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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	6.82	-48.08	1	5	-1	86	308.379	7	↓ MOL2 SDF SMILES Flexibase

49235793

Analogs

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Popular Name: 3-bromo-4-(dicyclopropylmethylsulfamoyl)benzoic 3-bromo-4-(dicyclopropylmethylsu…

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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	6.68	-44.6	1	5	-1	86	373.248	6	↓ MOL2 SDF SMILES Flexibase

49236470

Analogs

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Popular Name: 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide 3-(aminomethyl)-N-(dicyclopropyl…

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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	3.5	-56.33	4	4	1	74	281.401	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.89	3.1	-7.85	3	4	0	72	280.393	6	↓ MOL2 SDF SMILES Flexibase

49236474

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Popular Name: 2-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide 2-(aminomethyl)-N-(dicyclopropyl…

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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)	1.87	4	-44.97	4	4	1	74	281.401	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.87	3.71	-9.17	3	4	0	72	280.393	6	↓ MOL2 SDF SMILES Flexibase

49237497

Analogs

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Popular Name: 3-(dicyclopropylmethylsulfamoyl)benzenecarbothioamide 3-(dicyclopropylmethylsulfamoyl)…

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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)	2.51	4.7	-18.86	3	4	0	72	310.444	6	↓ MOL2 SDF SMILES Flexibase

49237499

Analogs

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Popular Name: 4-(dicyclopropylmethylsulfamoyl)benzenecarbothioamide 4-(dicyclopropylmethylsulfamoyl)…

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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)	2.53	4.69	-17.1	3	4	0	72	310.444	6	↓ MOL2 SDF SMILES Flexibase

49237501

Analogs

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Popular Name: 2-(dicyclopropylmethylsulfamoyl)benzenecarbothioamide 2-(dicyclopropylmethylsulfamoyl)…

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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)	2.48	4.89	-18.3	3	4	0	72	310.444	6	↓ MOL2 SDF SMILES Flexibase

49238088

Analogs

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Popular Name: 3-[(1S)-1-aminoethyl]-N-(dicyclopropylmethyl)benzenesulfonamide 3-[(1S)-1-aminoethyl]-N-(dicyclo…

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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)	0.57	4.23	-56.49	4	4	1	74	295.428	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.57	3.9	-7.95	3	4	0	72	294.42	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 201373
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 = 201373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=201373&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": "201373"        

    });
</script>

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