ZINC 12

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ZINC Item

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69671760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-hydrazino-benzenesulfonamide N-[(1S)-2-cyclopropyl-1-methyl-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)	1.72	2.18	-9.68	4	5	0	84	269.37	6	↓ MOL2 SDF SMILES Flexibase

69671765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4-hydrazino-benzenesulfonamide N-[(1R)-2-cyclopropyl-1-methyl-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)	1.72	2.15	-10.06	4	5	0	84	269.37	6	↓ MOL2 SDF SMILES Flexibase

69671814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-hydrazino-benzenesulfonamide N-[(1S)-2-cyclopropyl-1-methyl-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)	1.67	2.57	-8.58	4	5	0	84	269.37	6	↓ MOL2 SDF SMILES Flexibase

69671816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-hydrazino-benzenesulfonamide N-[(1R)-2-cyclopropyl-1-methyl-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)	1.67	2.51	-9.29	4	5	0	84	269.37	6	↓ MOL2 SDF SMILES Flexibase

70100601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,4-difluoro-benzenesulfonamide 5-amino-N-[(1S)-2-cyclopropyl-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)	2.14	2.48	-8.4	3	4	0	72	290.335	5	↓ MOL2 SDF SMILES Flexibase

70100602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,4-difluoro-benzenesulfonamide 5-amino-N-[(1R)-2-cyclopropyl-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)	2.14	2.06	-8.26	3	4	0	72	290.335	5	↓ MOL2 SDF SMILES Flexibase

70100607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-5-fluoro-benzenesulfonamide 2-amino-N-[(1S)-2-cyclopropyl-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)	2.05	2.91	-9.83	3	4	0	72	272.345	5	↓ MOL2 SDF SMILES Flexibase

70100608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-5-fluoro-benzenesulfonamide 2-amino-N-[(1R)-2-cyclopropyl-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)	2.05	2.93	-10.37	3	4	0	72	272.345	5	↓ MOL2 SDF SMILES Flexibase

70100611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 2-amino-5-bromo-N-[(1S)-2-cyclop…

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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	3.47	-9.11	3	4	0	72	333.251	5	↓ MOL2 SDF SMILES Flexibase

70100612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 2-amino-5-bromo-N-[(1R)-2-cyclop…

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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	3.48	-9.65	3	4	0	72	333.251	5	↓ MOL2 SDF SMILES Flexibase

70100613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-fluoro-benzenesulfonamide 5-amino-2-chloro-N-[(1S)-2-cyclo…

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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)	2.66	2.99	-7.64	3	4	0	72	306.79	5	↓ MOL2 SDF SMILES Flexibase

70100614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4-fluoro-benzenesulfonamide 5-amino-2-chloro-N-[(1R)-2-cyclo…

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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)	2.66	2.98	-7.41	3	4	0	72	306.79	5	↓ MOL2 SDF SMILES Flexibase

70100615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-fluoro-benzenesulfonamide 2-amino-N-[(1S)-2-cyclopropyl-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)	2.03	3.09	-10.56	3	4	0	72	272.345	5	↓ MOL2 SDF SMILES Flexibase

70100616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6-fluoro-benzenesulfonamide 2-amino-N-[(1R)-2-cyclopropyl-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)	2.03	2.94	-10.81	3	4	0	72	272.345	5	↓ MOL2 SDF SMILES Flexibase

70100617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 2-amino-4-chloro-N-[(1S)-2-cyclo…

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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	3.36	-7.93	3	4	0	72	288.8	5	↓ MOL2 SDF SMILES Flexibase

70100618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 2-amino-4-chloro-N-[(1R)-2-cyclo…

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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	3.45	-8.43	3	4	0	72	288.8	5	↓ MOL2 SDF SMILES Flexibase

70100619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-ethyl-benzenesulfonamide 5-amino-N-[(1S)-2-cyclopropyl-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)	2.40	4.08	-8.55	3	4	0	72	282.409	6	↓ MOL2 SDF SMILES Flexibase

70100620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-ethyl-benzenesulfonamide 5-amino-N-[(1R)-2-cyclopropyl-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)	2.40	4.14	-9.29	3	4	0	72	282.409	6	↓ MOL2 SDF SMILES Flexibase

70100625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2,6-dibromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 4-amino-2,6-dibromo-N-[(1S)-2-cy…

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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)	3.03	3.84	-8.72	3	4	0	72	412.147	5	↓ MOL2 SDF SMILES Flexibase

70100626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2,6-dibromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 4-amino-2,6-dibromo-N-[(1R)-2-cy…

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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)	3.03	3.78	-9.24	3	4	0	72	412.147	5	↓ MOL2 SDF SMILES Flexibase

70100631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dibromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 2-amino-4,6-dibromo-N-[(1S)-2-cy…

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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	4.37	-6.51	3	4	0	72	412.147	5	↓ MOL2 SDF SMILES Flexibase

70100632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dibromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 2-amino-4,6-dibromo-N-[(1R)-2-cy…

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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	4.31	-6.76	3	4	0	72	412.147	5	↓ MOL2 SDF SMILES Flexibase

70100633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 3-amino-4-chloro-N-[(1S)-2-cyclo…

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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	2.95	-7.93	3	4	0	72	288.8	5	↓ MOL2 SDF SMILES Flexibase

70100634

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 3-amino-4-chloro-N-[(1R)-2-cyclo…

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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	2.92	-8.21	3	4	0	72	288.8	5	↓ MOL2 SDF SMILES Flexibase

70100639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,3-dimethyl-benzenesulfonamide 5-amino-N-[(1S)-2-cyclopropyl-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)	2.31	3.52	-9.04	3	4	0	72	282.409	5	↓ MOL2 SDF SMILES Flexibase

70100640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,3-dimethyl-benzenesulfonamide 5-amino-N-[(1R)-2-cyclopropyl-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)	2.31	3.7	-9.78	3	4	0	72	282.409	5	↓ MOL2 SDF SMILES Flexibase

70100641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-methoxy-benzenesulfonamide 3-amino-N-[(1S)-2-cyclopropyl-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)	1.94	1.84	-9.31	3	5	0	81	284.381	6	↓ MOL2 SDF SMILES Flexibase

70100642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4-methoxy-benzenesulfonamide 3-amino-N-[(1R)-2-cyclopropyl-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)	1.94	1.71	-9.69	3	5	0	81	284.381	6	↓ MOL2 SDF SMILES Flexibase

70100645

Analogs

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Popular Name: 4-amino-2-cyano-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 4-amino-2-cyano-N-[(1S)-2-cyclop…

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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)	1.24	2.68	-12.05	3	5	0	96	279.365	5	↓ MOL2 SDF SMILES Flexibase

70100646

Analogs

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Popular Name: 4-amino-2-cyano-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 4-amino-2-cyano-N-[(1R)-2-cyclop…

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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)	1.24	2.82	-12.46	3	5	0	96	279.365	5	↓ MOL2 SDF SMILES Flexibase

70100647

Analogs

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Popular Name: 4-amino-2-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 4-amino-2-bromo-N-[(1S)-2-cyclop…

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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)	2.29	3.02	-9	3	4	0	72	333.251	5	↓ MOL2 SDF SMILES Flexibase

70100648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 4-amino-2-bromo-N-[(1R)-2-cyclop…

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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)	2.29	3.28	-9.57	3	4	0	72	333.251	5	↓ MOL2 SDF SMILES Flexibase

70100649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-benzenesulfonamide 4-amino-N-[(1S)-2-cyclopropyl-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)	1.93	3.24	-9.19	3	4	0	72	268.382	5	↓ MOL2 SDF SMILES Flexibase

70100650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-benzenesulfonamide 4-amino-N-[(1R)-2-cyclopropyl-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)	1.93	3.41	-9.99	3	4	0	72	268.382	5	↓ MOL2 SDF SMILES Flexibase

70100655

Analogs

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Popular Name: 2-amino-4-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 2-amino-4-bromo-N-[(1S)-2-cyclop…

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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	3.47	-7.9	3	4	0	72	333.251	5	↓ MOL2 SDF SMILES Flexibase

70100656

Analogs

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Popular Name: 2-amino-4-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzenesulfonamide 2-amino-4-bromo-N-[(1R)-2-cyclop…

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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	3.55	-8.4	3	4	0	72	333.251	5	↓ MOL2 SDF SMILES Flexibase

70100657

Analogs

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Popular Name: 2-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-methyl-benzenesulfonamide 2-amino-N-[(1S)-2-cyclopropyl-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)	2.31	3.83	-7.63	3	4	0	72	268.382	5	↓ MOL2 SDF SMILES Flexibase

70100658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6-methyl-benzenesulfonamide 2-amino-N-[(1R)-2-cyclopropyl-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)	2.31	3.66	-8	3	4	0	72	268.382	5	↓ MOL2 SDF SMILES Flexibase

70100669

Analogs

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Popular Name: 4-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-fluoro-benzenesulfonamide 4-amino-N-[(1S)-2-cyclopropyl-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)	1.64	2.38	-10.52	3	4	0	72	272.345	5	↓ MOL2 SDF SMILES Flexibase

70100670

Analogs

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Popular Name: 4-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-fluoro-benzenesulfonamide 4-amino-N-[(1R)-2-cyclopropyl-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)	1.64	2.03	-10.52	3	4	0	72	272.345	5	↓ MOL2 SDF SMILES Flexibase

70100671

Analogs

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Popular Name: 3-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-fluoro-benzenesulfonamide 3-amino-N-[(1S)-2-cyclopropyl-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)	2.05	2.46	-8.26	3	4	0	72	272.345	5	↓ MOL2 SDF SMILES Flexibase

70100672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4-fluoro-benzenesulfonamide 3-amino-N-[(1R)-2-cyclopropyl-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)	2.05	2.43	-8.56	3	4	0	72	272.345	5	↓ MOL2 SDF SMILES Flexibase

70100677

Analogs

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Popular Name: 3-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4,5-dimethyl-benzenesulfonamide 3-amino-N-[(1S)-2-cyclopropyl-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)	2.71	3.69	-9.27	3	4	0	72	282.409	5	↓ MOL2 SDF SMILES Flexibase

70100678

Analogs

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Popular Name: 3-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4,5-dimethyl-benzenesulfonamide 3-amino-N-[(1R)-2-cyclopropyl-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)	2.71	3.62	-9.63	3	4	0	72	282.409	5	↓ MOL2 SDF SMILES Flexibase

70100679

Analogs

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Popular Name: 3-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-benzenesulfonamide 3-amino-N-[(1S)-2-cyclopropyl-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)	2.31	3.32	-9.09	3	4	0	72	268.382	5	↓ MOL2 SDF SMILES Flexibase

70100680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-benzenesulfonamide 3-amino-N-[(1R)-2-cyclopropyl-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)	2.31	3.46	-9.79	3	4	0	72	268.382	5	↓ MOL2 SDF SMILES Flexibase

70100681

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-chloro-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-methyl-benzenesulfonamide 3-amino-5-chloro-N-[(1S)-2-cyclo…

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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)	2.94	3.57	-8.56	3	4	0	72	302.827	5	↓ MOL2 SDF SMILES Flexibase

70100682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-chloro-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4-methyl-benzenesulfonamide 3-amino-5-chloro-N-[(1R)-2-cyclo…

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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)	2.94	3.55	-8.91	3	4	0	72	302.827	5	↓ MOL2 SDF SMILES Flexibase

70100685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-methyl-benzenesulfonamide 2-amino-N-[(1S)-2-cyclopropyl-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)	2.34	3.44	-8.64	3	4	0	72	268.382	5	↓ MOL2 SDF SMILES Flexibase

70100686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4-methyl-benzenesulfonamide 2-amino-N-[(1R)-2-cyclopropyl-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)	2.34	3.34	-9.2	3	4	0	72	268.382	5	↓ 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 = 279259 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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