ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6729283

Analogs

34940832
34940839
37052612
37052650
37052651

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-(2-methylcyclohexyl)-benzenesulfonamide 2-fluoro-N-(2-methylcyclohexyl)-…

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Activity (Go SEA)

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)	3.27	-2.97	-9.3	1	3	0	46	271.357	3	↓ MOL2 SDF SMILES Flexibase

6729286

Analogs

34940832
34940839
37052612
37052650
37052651

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-(2-methylcyclohexyl)-benzenesulfonamide 2-fluoro-N-(2-methylcyclohexyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.27	-3.32	-9.23	1	3	0	46	271.357	3	↓ MOL2 SDF SMILES Flexibase

6729288

Analogs

34940832
34940839
37052612
37052650
37052651

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-(2-methylcyclohexyl)-benzenesulfonamide 2-fluoro-N-(2-methylcyclohexyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.27	-3.62	-9.3	1	3	0	46	271.357	3	↓ MOL2 SDF SMILES Flexibase

6729291

Analogs

34940832
34940839
37052612
37052650
37052651

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-(2-methylcyclohexyl)-benzenesulfonamide 2-fluoro-N-(2-methylcyclohexyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.27	-3.28	-8.93	1	3	0	46	271.357	3	↓ MOL2 SDF SMILES Flexibase

50653656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S,3R)-3-methylcyclohexyl]-2-nitro-benzenesulfonamide 4-amino-N-[(1S,3R)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	4.08	-12.76	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S,3S)-3-methylcyclohexyl]-2-nitro-benzenesulfonamide 4-amino-N-[(1S,3S)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	4.32	-12.98	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R,3R)-3-methylcyclohexyl]-2-nitro-benzenesulfonamide 4-amino-N-[(1R,3R)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	4.1	-12.85	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R,3S)-3-methylcyclohexyl]-2-nitro-benzenesulfonamide 4-amino-N-[(1R,3S)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	3.95	-12.78	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S,3R)-3-methylcyclohexyl]-5-nitro-benzenesulfonamide 2-amino-N-[(1S,3R)-3-methylcyclo…

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Activity (Go SEA)

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	3.72	-13.72	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S,3S)-3-methylcyclohexyl]-5-nitro-benzenesulfonamide 2-amino-N-[(1S,3S)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.94	-13.52	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R,3R)-3-methylcyclohexyl]-5-nitro-benzenesulfonamide 2-amino-N-[(1R,3R)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.89	-13.54	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R,3S)-3-methylcyclohexyl]-5-nitro-benzenesulfonamide 2-amino-N-[(1R,3S)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.69	-13.92	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S,3R)-3-methylcyclohexyl]-4-nitro-benzenesulfonamide 2-amino-N-[(1S,3R)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.71	-9.72	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S,3S)-3-methylcyclohexyl]-4-nitro-benzenesulfonamide 2-amino-N-[(1S,3S)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.93	-9.72	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R,3R)-3-methylcyclohexyl]-4-nitro-benzenesulfonamide 2-amino-N-[(1R,3R)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.88	-9.67	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R,3S)-3-methylcyclohexyl]-4-nitro-benzenesulfonamide 2-amino-N-[(1R,3S)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	3.68	-9.77	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,3R)-3-methylcyclohexyl]-2-nitro-benzenesulfonamide 5-amino-N-[(1S,3R)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	4.08	-13.49	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S,3S)-3-methylcyclohexyl]-2-nitro-benzenesulfonamide 5-amino-N-[(1S,3S)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	4.3	-13.74	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,3R)-3-methylcyclohexyl]-2-nitro-benzenesulfonamide 5-amino-N-[(1R,3R)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	4.1	-13.53	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R,3S)-3-methylcyclohexyl]-2-nitro-benzenesulfonamide 5-amino-N-[(1R,3S)-3-methylcyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	3.94	-13.45	3	7	0	118	313.379	4	↓ MOL2 SDF SMILES Flexibase

50653699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-[(1R,3S)-3-methylcyclohexyl]benzenesulfonamide 4-(ethylamino)-N-[(1R,3S)-3-meth…

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Activity (Go SEA)

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)	3.15	4.18	-8.3	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

50653702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-[(1S,3S)-3-methylcyclohexyl]benzenesulfonamide 4-(ethylamino)-N-[(1S,3S)-3-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.15	4.49	-8.5	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

50653705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-[(1R,3R)-3-methylcyclohexyl]benzenesulfonamide 4-(ethylamino)-N-[(1R,3R)-3-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.15	4.42	-8.22	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

50653706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-[(1S,3R)-3-methylcyclohexyl]benzenesulfonamide 4-(ethylamino)-N-[(1S,3R)-3-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.15	4.25	-8.47	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

50653709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-4-(propylamino)benzenesulfonamide N-[(1R,3S)-3-methylcyclohexyl]-4…

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Activity (Go SEA)

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)	3.65	4.93	-8.15	2	4	0	58	310.463	6	↓ MOL2 SDF SMILES Flexibase

50653712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-4-(propylamino)benzenesulfonamide N-[(1S,3S)-3-methylcyclohexyl]-4…

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Activity (Go SEA)

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)	3.65	5.25	-8.35	2	4	0	58	310.463	6	↓ MOL2 SDF SMILES Flexibase

50653713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-4-(propylamino)benzenesulfonamide N-[(1R,3R)-3-methylcyclohexyl]-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	5.17	-8.07	2	4	0	58	310.463	6	↓ MOL2 SDF SMILES Flexibase

50653716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-4-(propylamino)benzenesulfonamide N-[(1S,3R)-3-methylcyclohexyl]-4…

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Activity (Go SEA)

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)	3.65	5.01	-8.26	2	4	0	58	310.463	6	↓ MOL2 SDF SMILES Flexibase

50653753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-[(1S,3R)-3-methylcyclohexyl]benzenesulfonamide 2-(methylamino)-N-[(1S,3R)-3-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	3.97	-8.92	2	4	0	58	282.409	4	↓ MOL2 SDF SMILES Flexibase

50653756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-[(1S,3S)-3-methylcyclohexyl]benzenesulfonamide 2-(methylamino)-N-[(1S,3S)-3-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	4.2	-8.87	2	4	0	58	282.409	4	↓ MOL2 SDF SMILES Flexibase

50653759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-[(1R,3R)-3-methylcyclohexyl]benzenesulfonamide 2-(methylamino)-N-[(1R,3R)-3-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	4.13	-8.8	2	4	0	58	282.409	4	↓ MOL2 SDF SMILES Flexibase

50653761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-[(1R,3S)-3-methylcyclohexyl]benzenesulfonamide 2-(methylamino)-N-[(1R,3S)-3-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	3.94	-8.96	2	4	0	58	282.409	4	↓ MOL2 SDF SMILES Flexibase

50653764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-[(1R,3S)-3-methylcyclohexyl]benzenesulfonamide 2-(ethylamino)-N-[(1R,3S)-3-meth…

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Activity (Go SEA)

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)	3.10	4.61	-8.4	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

50653767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-[(1S,3S)-3-methylcyclohexyl]benzenesulfonamide 2-(ethylamino)-N-[(1S,3S)-3-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)	3.10	5	-8.6	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

50653771

Analogs

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Popular Name: 2-(ethylamino)-N-[(1R,3R)-3-methylcyclohexyl]benzenesulfonamide 2-(ethylamino)-N-[(1R,3R)-3-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)	3.10	4.94	-8.5	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

50653772

Analogs

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Popular Name: 2-(ethylamino)-N-[(1S,3R)-3-methylcyclohexyl]benzenesulfonamide 2-(ethylamino)-N-[(1S,3R)-3-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)	3.10	4.71	-8.58	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

50653775

Analogs

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Popular Name: N-[(1R,3S)-3-methylcyclohexyl]-2-(propylamino)benzenesulfonamide N-[(1R,3S)-3-methylcyclohexyl]-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)	3.61	5.37	-8.16	2	4	0	58	310.463	6	↓ MOL2 SDF SMILES Flexibase

50653777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3S)-3-methylcyclohexyl]-2-(propylamino)benzenesulfonamide N-[(1S,3S)-3-methylcyclohexyl]-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)	3.61	5.77	-8.31	2	4	0	58	310.463	6	↓ MOL2 SDF SMILES Flexibase

50653780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,3R)-3-methylcyclohexyl]-2-(propylamino)benzenesulfonamide N-[(1R,3R)-3-methylcyclohexyl]-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)	3.61	5.69	-8.25	2	4	0	58	310.463	6	↓ MOL2 SDF SMILES Flexibase

50653782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,3R)-3-methylcyclohexyl]-2-(propylamino)benzenesulfonamide N-[(1S,3R)-3-methylcyclohexyl]-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)	3.61	5.48	-8.33	2	4	0	58	310.463	6	↓ MOL2 SDF SMILES Flexibase

35632708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-3-[(1S)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclohexyl-3-[(1S)-1-(ethylami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	5.34	-48.97	3	4	1	63	311.471	6	↓ MOL2 SDF SMILES Flexibase

35632709

Analogs

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Popular Name: N-cyclohexyl-3-[(1R)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclohexyl-3-[(1R)-1-(ethylami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	5.34	-47.13	3	4	1	63	311.471	6	↓ MOL2 SDF SMILES Flexibase

35632710

Analogs

35633694
35633695
52212706
52212709

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-3-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-cyclohexyl-3-[(1S)-1-(methylam…

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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)	3.01	4.49	-50.47	3	4	1	63	297.444	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.01	3.32	-7.48	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

35632712

Analogs

35633694
35633695
52212706
52212709

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-3-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-cyclohexyl-3-[(1R)-1-(methylam…

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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)	3.01	4.5	-48.39	3	4	1	63	297.444	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.01	3.33	-8.33	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

35632713

Analogs

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Popular Name: N-cyclohexyl-4-[(1S)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclohexyl-4-[(1S)-1-(ethylami…

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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)	3.41	5.35	-48.69	3	4	1	63	311.471	6	↓ MOL2 SDF SMILES Flexibase

35632714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-4-[(1R)-1-(ethylamino)ethyl]benzenesulfonamide N-cyclohexyl-4-[(1R)-1-(ethylami…

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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)	3.41	5.35	-47.51	3	4	1	63	311.471	6	↓ MOL2 SDF SMILES Flexibase

35632715

Analogs

35633696
35633697

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-4-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-cyclohexyl-4-[(1S)-1-(methylam…

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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	4.51	-50.03	3	4	1	63	297.444	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.03	3.33	-7.44	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

35632717

Analogs

35633696
35633697

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-4-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-cyclohexyl-4-[(1R)-1-(methylam…

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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	4.52	-48.66	3	4	1	63	297.444	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.03	3.34	-8.2	2	4	0	58	296.436	5	↓ MOL2 SDF SMILES Flexibase

35633041

Analogs

35633043

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-hydroxycyclohexyl)-3-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-(4-hydroxycyclohexyl)-3-[(1S)-…

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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)	1.39	1.16	-50.61	4	5	1	83	313.443	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.39	-0.01	-9.54	3	5	0	78	312.435	5	↓ MOL2 SDF SMILES Flexibase

35633043

Analogs

35633041

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-hydroxycyclohexyl)-3-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-(4-hydroxycyclohexyl)-3-[(1R)-…

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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)	1.39	1.17	-49.06	4	5	1	83	313.443	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.39	-0.01	-10.19	3	5	0	78	312.435	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 4116
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 = 4116 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4116&filter.purchasability=annotated

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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">
    window.zinc.embed('zinc-link', {
        "ring.id": "4116"        

    });
</script>

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