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ZINC Item

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40332577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-N-[[(3S)-tetrahydrofuran…

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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)	0.55	-0.51	-10.55	3	5	0	81	256.327	4	↓ MOL2 SDF SMILES Flexibase

40332578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-N-[[(3R)-tetrahydrofuran…

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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)	0.55	-0.5	-11.47	3	5	0	81	256.327	4	↓ MOL2 SDF SMILES Flexibase

40332582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-N-[[(3S)-tetrahydrofuran…

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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)	0.93	-0.14	-10.24	3	5	0	81	256.327	4	↓ MOL2 SDF SMILES Flexibase

40332583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-N-[[(3R)-tetrahydrofuran…

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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)	0.93	-0.12	-11.28	3	5	0	81	256.327	4	↓ MOL2 SDF SMILES Flexibase

40332584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4-fluoro-N-[[(3S)-tetrah…

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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)	1.07	-0.07	-9.62	3	5	0	81	274.317	4	↓ MOL2 SDF SMILES Flexibase

40332585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4-fluoro-N-[[(3R)-tetrah…

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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)	1.07	-0.05	-10.56	3	5	0	81	274.317	4	↓ MOL2 SDF SMILES Flexibase

40332587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-methyl-N-[[(3S)-tetrah…

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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)	0.95	0.39	-10.49	3	5	0	81	270.354	4	↓ MOL2 SDF SMILES Flexibase

40332588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-methyl-N-[[(3R)-tetrah…

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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)	0.95	0.41	-11.58	3	5	0	81	270.354	4	↓ MOL2 SDF SMILES Flexibase

40332589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-chloro-N-[[(3S)-tetrah…

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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)	1.18	-0.44	-10.24	3	5	0	81	290.772	4	↓ MOL2 SDF SMILES Flexibase

40332590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-chloro-N-[[(3R)-tetrah…

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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)	1.18	-0.43	-11.18	3	5	0	81	290.772	4	↓ MOL2 SDF SMILES Flexibase

40332591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 4-amino-2-chloro-N-[[(3S)-tetrah…

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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)	1.18	-0.45	-10.49	3	5	0	81	290.772	4	↓ MOL2 SDF SMILES Flexibase

40332592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 4-amino-2-chloro-N-[[(3R)-tetrah…

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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)	1.18	-0.43	-11.39	3	5	0	81	290.772	4	↓ MOL2 SDF SMILES Flexibase

40332593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4-chloro-N-[[(3S)-tetrah…

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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)	1.58	0.06	-9.72	3	5	0	81	290.772	4	↓ MOL2 SDF SMILES Flexibase

40332594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-chloro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4-chloro-N-[[(3R)-tetrah…

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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)	1.58	0.09	-10.46	3	5	0	81	290.772	4	↓ MOL2 SDF SMILES Flexibase

40332596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-hydroxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4-hydroxy-N-[[(3S)-tetra…

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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)	0.68	-3.24	-11.27	4	6	0	102	272.326	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.68	-2.48	-44.62	3	6	-1	104	271.318	4	↓ MOL2 SDF SMILES Flexibase

40332597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-hydroxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4-hydroxy-N-[[(3R)-tetra…

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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)	0.68	-3.23	-11.9	4	6	0	102	272.326	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.68	-2.47	-43.3	3	6	-1	104	271.318	4	↓ MOL2 SDF SMILES Flexibase

40332599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4-fluoro-N-[[(3S)-tetrah…

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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)	1.07	-0.42	-10.06	3	5	0	81	274.317	4	↓ MOL2 SDF SMILES Flexibase

40332600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4-fluoro-N-[[(3R)-tetrah…

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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)	1.07	-0.41	-10.85	3	5	0	81	274.317	4	↓ MOL2 SDF SMILES Flexibase

40332605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4-methoxy-N-[[(3S)-tetra…

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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)	0.96	-1.09	-10.9	3	6	0	91	286.353	5	↓ MOL2 SDF SMILES Flexibase

40332606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4-methoxy-N-[[(3R)-tetra…

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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)	0.96	-1.08	-11.7	3	6	0	91	286.353	5	↓ MOL2 SDF SMILES Flexibase

40332607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-chloro-4-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-5-chloro-4-methyl-N-[[(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)	1.96	0.7	-10.14	3	5	0	81	304.799	4	↓ MOL2 SDF SMILES Flexibase

40332608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-chloro-4-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-5-chloro-4-methyl-N-[[(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)	1.96	0.71	-10.98	3	5	0	81	304.799	4	↓ MOL2 SDF SMILES Flexibase

40332609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-methoxy-N-[[(3S)-tetra…

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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)	0.55	-0.7	-12.2	3	6	0	91	286.353	5	↓ MOL2 SDF SMILES Flexibase

40332610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-methoxy-N-[[(3R)-tetra…

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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)	0.55	-0.69	-13.31	3	6	0	91	286.353	5	↓ MOL2 SDF SMILES Flexibase

40332611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,4-difluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2,4-difluoro-N-[[(3S)-te…

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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)	1.16	-0.67	-9.37	3	5	0	81	292.307	4	↓ MOL2 SDF SMILES Flexibase

40332612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,4-difluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2,4-difluoro-N-[[(3R)-te…

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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)	1.16	-0.65	-10.21	3	5	0	81	292.307	4	↓ MOL2 SDF SMILES Flexibase

40332613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4,5-dimethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4,5-dimethyl-N-[[(3S)-te…

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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)	1.73	0.8	-10.8	3	5	0	81	284.381	4	↓ MOL2 SDF SMILES Flexibase

40332614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4,5-dimethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-4,5-dimethyl-N-[[(3R)-te…

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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)	1.73	0.83	-11.58	3	5	0	81	284.381	4	↓ MOL2 SDF SMILES Flexibase

40332615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,3-dimethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2,3-dimethyl-N-[[(3S)-te…

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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)	1.32	0.82	-10.61	3	5	0	81	284.381	4	↓ MOL2 SDF SMILES Flexibase

40332616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,3-dimethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2,3-dimethyl-N-[[(3R)-te…

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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)	1.32	0.84	-11.68	3	5	0	81	284.381	4	↓ MOL2 SDF SMILES Flexibase

40332617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4-methoxy-N-[[(3S)-tetra…

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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)	0.96	-0.84	-10.82	3	6	0	91	286.353	5	↓ MOL2 SDF SMILES Flexibase

40332618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4-methoxy-N-[[(3R)-tetra…

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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)	0.96	-0.82	-11.64	3	6	0	91	286.353	5	↓ MOL2 SDF SMILES Flexibase

40332619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,5-dimethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4,5-dimethyl-N-[[(3S)-te…

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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)	1.73	1.12	-10.45	3	5	0	81	284.381	4	↓ MOL2 SDF SMILES Flexibase

40332620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,5-dimethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4,5-dimethyl-N-[[(3R)-te…

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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)	1.73	1.13	-11.52	3	5	0	81	284.381	4	↓ MOL2 SDF SMILES Flexibase

40332622

Analogs

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Popular Name: 3-amino-2-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-2-methyl-N-[[(3S)-tetrah…

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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)	1.33	0.49	-10.6	3	5	0	81	270.354	4	↓ MOL2 SDF SMILES Flexibase

40332623

Analogs

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Popular Name: 3-amino-2-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-2-methyl-N-[[(3R)-tetrah…

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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)	1.33	0.5	-11.66	3	5	0	81	270.354	4	↓ MOL2 SDF SMILES Flexibase

40332627

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.07	0.5	-11.99	3	7	0	108	314.363	6	↓ MOL2 SDF SMILES Flexibase

40332628

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.07	0.51	-12.76	3	7	0	108	314.363	6	↓ MOL2 SDF SMILES Flexibase

40332629

Analogs

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Popular Name: 2-amino-4-chloro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4-chloro-N-[[(3S)-tetrah…

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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)	1.58	0.38	-9.36	3	5	0	81	290.772	4	↓ MOL2 SDF SMILES Flexibase

40332630

Analogs

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Popular Name: 2-amino-4-chloro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4-chloro-N-[[(3R)-tetrah…

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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)	1.58	0.4	-10.28	3	5	0	81	290.772	4	↓ MOL2 SDF SMILES Flexibase

40332632

Analogs

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Popular Name: 5-amino-2-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-fluoro-N-[[(3S)-tetrah…

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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)	0.66	-0.76	-10.98	3	5	0	81	274.317	4	↓ MOL2 SDF SMILES Flexibase

40332633

Analogs

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Popular Name: 5-amino-2-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-fluoro-N-[[(3R)-tetrah…

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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)	0.66	-0.74	-11.96	3	5	0	81	274.317	4	↓ MOL2 SDF SMILES Flexibase

40332634

Analogs

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Popular Name: 5-amino-2-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-ethyl-N-[[(3S)-tetrahy…

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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)	1.41	1.31	-9.97	3	5	0	81	284.381	5	↓ MOL2 SDF SMILES Flexibase

40332635

Analogs

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Popular Name: 5-amino-2-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 5-amino-2-ethyl-N-[[(3R)-tetrahy…

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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)	1.41	1.28	-11.15	3	5	0	81	284.381	5	↓ MOL2 SDF SMILES Flexibase

40332636

Analogs

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Popular Name: 2-amino-4,6-dichloro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4,6-dichloro-N-[[(3S)-te…

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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	1.2	-8.86	3	5	0	81	325.217	4	↓ MOL2 SDF SMILES Flexibase

40332637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4,6-dichloro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 2-amino-4,6-dichloro-N-[[(3R)-te…

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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	1.22	-9.38	3	5	0	81	325.217	4	↓ MOL2 SDF SMILES Flexibase

40332638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-5-methyl-N-[[(3S)-tetrah…

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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)	0.95	0.15	-10.47	3	5	0	81	270.354	4	↓ MOL2 SDF SMILES Flexibase

40332639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 3-amino-5-methyl-N-[[(3R)-tetrah…

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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)	0.95	0.16	-11.38	3	5	0	81	270.354	4	↓ MOL2 SDF SMILES Flexibase

40332644

Analogs

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Popular Name: 4-amino-2-bromo-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 4-amino-2-bromo-N-[[(3S)-tetrahy…

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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)	1.31	0.23	-10.51	3	5	0	81	335.223	4	↓ MOL2 SDF SMILES Flexibase

40332645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-bromo-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzenesulfonamide 4-amino-2-bromo-N-[[(3R)-tetrahy…

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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)	1.31	0.25	-11.3	3	5	0	81	335.223	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 14165 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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', {
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