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ZINC Item

Suppliers, Protomers, & Similar Substances

20118447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 2-[[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]amino]carbonyl]- benzoic acid, 2-[[[4-[[2-(2-chlo…

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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)	4.21	10.27	-82.35	2	7	-1	108	437.859	7	↓ MOL2 SDF SMILES Flexibase

20118449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 2-[[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]amino]carbonyl]- benzoic acid, 2-[[[4-[[2-(2-chlo…

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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)	4.21	10.32	-80.76	2	7	-1	108	437.859	7	↓ MOL2 SDF SMILES Flexibase

20118458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-bromo-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 2-bromo-N-[4-[[2-(2-c…

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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)	5.44	10.71	-23.23	2	5	0	67	473.754	6	↓ MOL2 SDF SMILES Flexibase

20118460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-bromo-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 2-bromo-N-[4-[[2-(2-c…

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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)	5.44	10.74	-23.44	2	5	0	67	473.754	6	↓ MOL2 SDF SMILES Flexibase

20118466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-fluoro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.85	10.16	-21.97	2	5	0	67	412.848	6	↓ MOL2 SDF SMILES Flexibase

20118468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-fluoro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.85	10.17	-22.25	2	5	0	67	412.848	6	↓ MOL2 SDF SMILES Flexibase

20118474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-nitro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.64	10.73	-24.89	2	8	0	113	439.855	7	↓ MOL2 SDF SMILES Flexibase

20118476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-nitro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.64	10.79	-24.87	2	8	0	113	439.855	7	↓ MOL2 SDF SMILES Flexibase

20118478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-2-nitro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.59	11.31	-34.98	2	8	0	113	439.855	7	↓ MOL2 SDF SMILES Flexibase

20118480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-2-nitro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.59	11.35	-32.47	2	8	0	113	439.855	7	↓ MOL2 SDF SMILES Flexibase

20118486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2,4-dichloro-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 2,4-dichloro-N-[4-[[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)	5.97	11.1	-22.53	2	5	0	67	463.748	6	↓ MOL2 SDF SMILES Flexibase

20118488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2,4-dichloro-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 2,4-dichloro-N-[4-[[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)	5.97	11.13	-22.76	2	5	0	67	463.748	6	↓ MOL2 SDF SMILES Flexibase

20118494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-chloro-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 2-chloro-N-[4-[[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)	5.31	10.59	-23.72	2	5	0	67	429.303	6	↓ MOL2 SDF SMILES Flexibase

20118496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-chloro-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 2-chloro-N-[4-[[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)	5.31	10.62	-23.94	2	5	0	67	429.303	6	↓ MOL2 SDF SMILES Flexibase

20118498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-chloro-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 4-chloro-N-[4-[[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)	5.36	10.61	-21.6	2	5	0	67	429.303	6	↓ MOL2 SDF SMILES Flexibase

20118499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-chloro-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 4-chloro-N-[4-[[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)	5.36	10.64	-21.84	2	5	0	67	429.303	6	↓ MOL2 SDF SMILES Flexibase

20118500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-3-nitro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.62	10.76	-29.42	2	8	0	113	439.855	7	↓ MOL2 SDF SMILES Flexibase

20118502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-3-nitro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.62	10.79	-29.7	2	8	0	113	439.855	7	↓ MOL2 SDF SMILES Flexibase

20118508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-3,5-dinitro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.53	11.43	-24.12	2	11	0	159	484.852	8	↓ MOL2 SDF SMILES Flexibase

20118510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-3,5-dinitro- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.53	11.46	-24.37	2	11	0	159	484.852	8	↓ MOL2 SDF SMILES Flexibase

20118535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-methoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.74	9.38	-23.6	2	6	0	77	424.884	7	↓ MOL2 SDF SMILES Flexibase

20118537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-methoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.74	9.44	-23.57	2	6	0	77	424.884	7	↓ MOL2 SDF SMILES Flexibase

20118557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-methyl- benzamide, N-[4-[[2-(2-chlorophe…

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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	10.72	-22.56	2	5	0	67	408.885	6	↓ MOL2 SDF SMILES Flexibase

20118558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-methyl- benzamide, N-[4-[[2-(2-chlorophe…

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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	10.78	-22.44	2	5	0	67	408.885	6	↓ MOL2 SDF SMILES Flexibase

20118562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-3,4,5-trimethoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.31	9.27	-25.08	2	8	0	95	484.936	9	↓ MOL2 SDF SMILES Flexibase

20118564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-3,4,5-trimethoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	4.31	9.31	-25.29	2	8	0	95	484.936	9	↓ MOL2 SDF SMILES Flexibase

20118578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-methoxy- benzamide, 3-bromo-N-[4-[[2-(2-c…

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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	10.07	-24.98	2	6	0	77	503.78	7	↓ MOL2 SDF SMILES Flexibase

20118580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-methoxy- benzamide, 3-bromo-N-[4-[[2-(2-c…

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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	10.1	-25.25	2	6	0	77	503.78	7	↓ MOL2 SDF SMILES Flexibase

20118618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-methyl- benzamide, 3-bromo-N-[4-[[2-(2-c…

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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)	5.87	11.31	-23.33	2	5	0	67	487.781	6	↓ MOL2 SDF SMILES Flexibase

20118620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-bromo-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-methyl- benzamide, 3-bromo-N-[4-[[2-(2-c…

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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)	5.87	11.34	-23.55	2	5	0	67	487.781	6	↓ MOL2 SDF SMILES Flexibase

20118677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-2-methoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	5.24	10.54	-31.37	2	6	0	77	424.884	7	↓ MOL2 SDF SMILES Flexibase

20118679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-2-methoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	5.24	10.58	-25.6	2	6	0	77	424.884	7	↓ MOL2 SDF SMILES Flexibase

20118737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-chloro-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 3-chloro-N-[4-[[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)	5.34	10.58	-20.97	2	5	0	67	429.303	6	↓ MOL2 SDF SMILES Flexibase

20118739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-chloro-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 3-chloro-N-[4-[[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)	5.34	10.61	-27.05	2	5	0	67	429.303	6	↓ MOL2 SDF SMILES Flexibase

20118776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-ethoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	5.11	10.3	-23.41	2	6	0	77	438.911	8	↓ MOL2 SDF SMILES Flexibase

20118777

Analogs

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Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-ethoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	5.11	10.37	-23.34	2	6	0	77	438.911	8	↓ MOL2 SDF SMILES Flexibase

20118802

Analogs

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Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-2-ethoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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	11.45	-31.39	2	6	0	77	438.911	8	↓ MOL2 SDF SMILES Flexibase

20118803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-2-ethoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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	11.53	-31.23	2	6	0	77	438.911	8	↓ MOL2 SDF SMILES Flexibase

20118828

Analogs

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Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-(hexyloxy)- benzamide, N-[4-[[2-(2-chlorophe…

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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)	7.19	13.43	-23.08	2	6	0	77	495.019	12	↓ MOL2 SDF SMILES Flexibase

20118829

Analogs

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Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-(hexyloxy)- benzamide, N-[4-[[2-(2-chlorophe…

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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)	7.19	13.5	-22.99	2	6	0	77	495.019	12	↓ MOL2 SDF SMILES Flexibase

20118830

Analogs

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Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-(pentyloxy)- benzamide, N-[4-[[2-(2-chlorophe…

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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)	6.68	12.65	-22.98	2	6	0	77	480.992	11	↓ MOL2 SDF SMILES Flexibase

20118832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-(pentyloxy)- benzamide, N-[4-[[2-(2-chlorophe…

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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)	6.68	12.72	-23	2	6	0	77	480.992	11	↓ MOL2 SDF SMILES Flexibase

20118838

Analogs

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Popular Name: benzamide, 4-butoxy-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 4-butoxy-N-[4-[[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)	6.18	11.88	-23.07	2	6	0	77	466.965	10	↓ MOL2 SDF SMILES Flexibase

20118840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-butoxy-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 4-butoxy-N-[4-[[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)	6.18	11.94	-23.04	2	6	0	77	466.965	10	↓ MOL2 SDF SMILES Flexibase

20118843

Analogs

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Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-(2-methylpropoxy)- benzamide, N-[4-[[2-(2-chlorophe…

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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	11.86	-19.12	2	6	0	77	466.965	9	↓ MOL2 SDF SMILES Flexibase

20118845

Analogs

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Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-(2-methylpropoxy)- benzamide, N-[4-[[2-(2-chlorophe…

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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	11.87	-19.1	2	6	0	77	466.965	9	↓ MOL2 SDF SMILES Flexibase

20118847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-propoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	5.62	11.1	-23.12	2	6	0	77	452.938	9	↓ MOL2 SDF SMILES Flexibase

20118849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]-4-propoxy- benzamide, N-[4-[[2-(2-chlorophe…

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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)	5.62	11.17	-23.05	2	6	0	77	452.938	9	↓ MOL2 SDF SMILES Flexibase

20118850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-butoxy-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 2-butoxy-N-[4-[[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)	6.68	13.02	-31.22	2	6	0	77	466.965	10	↓ MOL2 SDF SMILES Flexibase

20118852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-butoxy-N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- benzamide, 2-butoxy-N-[4-[[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)	6.68	13.07	-25.26	2	6	0	77	466.965	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 22398 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">
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