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20004365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,3-diphenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N,3-diphenyl-2-[(2,4,6-trim…

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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)	4.80	9.67	-16.73	2	5	0	75	422.55	7	↓ MOL2 SDF SMILES Flexibase

20004368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,3-diphenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N,3-diphenyl-2-[(2,4,6-trim…

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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)	4.80	9.32	-18.83	2	5	0	75	422.55	7	↓ MOL2 SDF SMILES Flexibase

20004371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(o-tolyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(o-tolyl)-3-phenyl-2-[(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)	5.20	10.53	-15.26	2	5	0	75	436.577	7	↓ MOL2 SDF SMILES Flexibase

20004375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(o-tolyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(o-tolyl)-3-phenyl-2-[(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)	5.20	10.33	-19.47	2	5	0	75	436.577	7	↓ MOL2 SDF SMILES Flexibase

20004378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(m-tolyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(m-tolyl)-3-phenyl-2-[(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)	5.23	10.15	-19.13	2	5	0	75	436.577	7	↓ MOL2 SDF SMILES Flexibase

20004381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(m-tolyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(m-tolyl)-3-phenyl-2-[(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)	5.23	10.38	-15.33	2	5	0	75	436.577	7	↓ MOL2 SDF SMILES Flexibase

20004383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-phenyl-N-(p-tolyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-3-phenyl-N-(p-tolyl)-2-[(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)	5.25	10.23	-19.2	2	5	0	75	436.577	7	↓ MOL2 SDF SMILES Flexibase

20004386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-phenyl-N-(p-tolyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-3-phenyl-N-(p-tolyl)-2-[(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)	5.25	10.42	-16.63	2	5	0	75	436.577	7	↓ MOL2 SDF SMILES Flexibase

20004389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,3-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(2,3-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.60	11.26	-15.42	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,3-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(2,3-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.60	11.06	-19.69	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,4-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(2,4-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	11.02	-19.64	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,4-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(2,4-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	11.19	-15.31	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(2,5-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	10.99	-19.12	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(2,5-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	11.25	-15.29	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,6-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(2,6-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.67	11.47	-15.78	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,6-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(2,6-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.67	11.08	-18.58	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-ethyl-6-methyl-phenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(2-ethyl-6-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.13	12.01	-18.03	2	5	0	75	464.631	8	↓ MOL2 SDF SMILES Flexibase

20004416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-ethyl-6-methyl-phenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(2-ethyl-6-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.13	12.17	-15.44	2	5	0	75	464.631	8	↓ MOL2 SDF SMILES Flexibase

20004419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,4-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(3,4-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	11.1	-16.4	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,4-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(3,4-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	10.91	-19.76	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(3,5-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	10.91	-19.49	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(3,5-dimethylphenyl)-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.63	11.04	-15.32	2	5	0	75	450.604	7	↓ MOL2 SDF SMILES Flexibase

20004431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-ethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(2-ethylphenyl)-3-phenyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.67	11.11	-18.72	2	5	0	75	450.604	8	↓ MOL2 SDF SMILES Flexibase

20004434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-ethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(2-ethylphenyl)-3-phenyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.67	11.35	-14.37	2	5	0	75	450.604	8	↓ MOL2 SDF SMILES Flexibase

20004437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-ethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(4-ethylphenyl)-3-phenyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.72	11.01	-18.99	2	5	0	75	450.604	8	↓ MOL2 SDF SMILES Flexibase

20004440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-ethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(4-ethylphenyl)-3-phenyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.72	11.19	-16.46	2	5	0	75	450.604	8	↓ MOL2 SDF SMILES Flexibase

20004443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-isopropylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(4-isopropylphenyl)-3-phe…

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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)	6.31	11.26	-18.7	2	5	0	75	464.631	8	↓ MOL2 SDF SMILES Flexibase

20004446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-isopropylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(4-isopropylphenyl)-3-phe…

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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)	6.31	11.61	-16.46	2	5	0	75	464.631	8	↓ MOL2 SDF SMILES Flexibase

20004455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-fluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(2-fluorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.92	9.55	-12.72	2	5	0	75	440.54	7	↓ MOL2 SDF SMILES Flexibase

20004458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-fluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(2-fluorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.92	9.35	-16.13	2	5	0	75	440.54	7	↓ MOL2 SDF SMILES Flexibase

20004461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-fluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(3-fluorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.94	9.51	-14.84	2	5	0	75	440.54	7	↓ MOL2 SDF SMILES Flexibase

20004464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-fluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(3-fluorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.94	9.43	-17.84	2	5	0	75	440.54	7	↓ MOL2 SDF SMILES Flexibase

20004467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-fluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(4-fluorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.97	9.74	-17.97	2	5	0	75	440.54	7	↓ MOL2 SDF SMILES Flexibase

20004470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(4-fluorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.97	9.39	-19.79	2	5	0	75	440.54	7	↓ MOL2 SDF SMILES Flexibase

20004473

Analogs

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Popular Name: (2S)-N-(2-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(2-chlorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	10.06	-12.05	2	5	0	75	456.995	7	↓ MOL2 SDF SMILES Flexibase

20004476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(2-chlorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	9.87	-15.54	2	5	0	75	456.995	7	↓ MOL2 SDF SMILES Flexibase

20004479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(3-chlorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.46	9.96	-14.47	2	5	0	75	456.995	7	↓ MOL2 SDF SMILES Flexibase

20004482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(3-chlorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.46	9.88	-17.45	2	5	0	75	456.995	7	↓ MOL2 SDF SMILES Flexibase

20004485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(4-chlorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.48	10.19	-17.18	2	5	0	75	456.995	7	↓ MOL2 SDF SMILES Flexibase

20004488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(4-chlorophenyl)-3-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.48	9.85	-19.03	2	5	0	75	456.995	7	↓ MOL2 SDF SMILES Flexibase

20004491

Analogs

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Popular Name: (2S)-N-(2-bromophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(2-bromophenyl)-3-phenyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.56	10.17	-11.79	2	5	0	75	501.446	7	↓ MOL2 SDF SMILES Flexibase

20004494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-bromophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(2-bromophenyl)-3-phenyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.56	10.01	-15.35	2	5	0	75	501.446	7	↓ MOL2 SDF SMILES Flexibase

20004496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-bromophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(3-bromophenyl)-3-phenyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.59	10.07	-14.39	2	5	0	75	501.446	7	↓ MOL2 SDF SMILES Flexibase

20004499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-bromophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(3-bromophenyl)-3-phenyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.59	9.99	-17.42	2	5	0	75	501.446	7	↓ MOL2 SDF SMILES Flexibase

20004502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-bromophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(4-bromophenyl)-3-phenyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.61	10.29	-17.08	2	5	0	75	501.446	7	↓ MOL2 SDF SMILES Flexibase

20004505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-bromophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(4-bromophenyl)-3-phenyl-…

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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)	5.61	9.95	-19.01	2	5	0	75	501.446	7	↓ MOL2 SDF SMILES Flexibase

20004508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chloro-2-methyl-phenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(3-chloro-2-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.83	10.66	-14.62	2	5	0	75	471.022	7	↓ MOL2 SDF SMILES Flexibase

20004510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chloro-2-methyl-phenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(3-chloro-2-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.83	10.56	-17.57	2	5	0	75	471.022	7	↓ MOL2 SDF SMILES Flexibase

20004513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chloro-2-methyl-phenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2S)-N-(4-chloro-2-methyl-phenyl…

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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)	5.86	11.03	-16.76	2	5	0	75	471.022	7	↓ MOL2 SDF SMILES Flexibase

20004516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chloro-2-methyl-phenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (2R)-N-(4-chloro-2-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.86	10.66	-18.96	2	5	0	75	471.022	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 61427 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
        "ring.id": "61427"        

    });
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