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ZINC Item

Suppliers, Protomers, & Similar Substances

10505542

Analogs

10505547

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	3.43	-1.78	-18.82	2	7	0	87	494.4	9	↓ MOL2 SDF SMILES Flexibase

10505547

Analogs

10505542

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(3,…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	-1.91	-18.43	2	7	0	87	494.4	9	↓ MOL2 SDF SMILES Flexibase

14011552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-nitrobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.06	12.23	-31.26	2	10	0	134	470.507	10	↓ MOL2 SDF SMILES Flexibase

14011555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-nitrobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.06	11.78	-29.96	2	10	0	134	470.507	10	↓ MOL2 SDF SMILES Flexibase

14011557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2,4-dichlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(2,…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	11.75	-20.21	2	7	0	88	494.4	9	↓ MOL2 SDF SMILES Flexibase

14011559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2,4-dichlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(2,…

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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)	3.43	11.55	-20.6	2	7	0	88	494.4	9	↓ MOL2 SDF SMILES Flexibase

14011561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-chlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(2-…

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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)	2.78	11.24	-22.41	2	7	0	88	459.955	9	↓ MOL2 SDF SMILES Flexibase

14011563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-chlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(2-…

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)	2.78	11.1	-23.35	2	7	0	88	459.955	9	↓ MOL2 SDF SMILES Flexibase

14011565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-chlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(4-…

Find On: PubMed — Wikipedia — Google

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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)	2.83	11.2	-20.16	2	7	0	88	459.955	9	↓ MOL2 SDF SMILES Flexibase

14011568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-chlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(4-…

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)	2.83	11.05	-19.8	2	7	0	88	459.955	9	↓ MOL2 SDF SMILES Flexibase

14011575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3,5-dinitrobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.00	12	-20.59	2	13	0	179	515.504	11	↓ MOL2 SDF SMILES Flexibase

14011577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3,5-dinitrobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(3,…

Find On: PubMed — Wikipedia — Google

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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)	2.00	11.88	-20.25	2	13	0	179	515.504	11	↓ MOL2 SDF SMILES Flexibase

14011598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-methoxybenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.21	9.86	-21.91	2	8	0	97	455.536	10	↓ MOL2 SDF SMILES Flexibase

14011601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-methoxybenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.21	9.99	-22.4	2	8	0	97	455.536	10	↓ MOL2 SDF SMILES Flexibase

14011603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3-methylbenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.58	11.21	-21.57	2	7	0	88	439.537	9	↓ MOL2 SDF SMILES Flexibase

14011605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3-methylbenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(3-…

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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)	2.58	11.36	-21.97	2	7	0	88	439.537	9	↓ MOL2 SDF SMILES Flexibase

14011607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[thioxo[(3,4,5-trimethoxybenzoyl)amino]methyl]-, 2-phenylethyl ester 2-piperazineacetic acid, 3-oxo-1…

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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)	1.78	9.68	-22.64	2	10	0	115	515.588	12	↓ MOL2 SDF SMILES Flexibase

14011610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 3-oxo-1-[thioxo[(3,4,5-trimethoxybenzoyl)amino]methyl]-, 2-phenylethyl ester 2-piperazineacetic acid, 3-oxo-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	9.81	-23.14	2	10	0	115	515.588	12	↓ MOL2 SDF SMILES Flexibase

14011612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[(benzoylamino)thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[(ben…

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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)	2.15	10.68	-21.9	2	7	0	88	425.51	9	↓ MOL2 SDF SMILES Flexibase

14011614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[(benzoylamino)thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[(ben…

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)	2.15	10.56	-21.54	2	7	0	88	425.51	9	↓ MOL2 SDF SMILES Flexibase

14011629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-methylbenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.60	11.23	-21.27	2	7	0	88	439.537	9	↓ MOL2 SDF SMILES Flexibase

14011631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-methylbenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.60	11.35	-21.74	2	7	0	88	439.537	9	↓ MOL2 SDF SMILES Flexibase

14011637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3-bromo-4-methylbenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	3.34	11.62	-22.34	2	7	0	88	518.433	9	↓ MOL2 SDF SMILES Flexibase

14011639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3-bromo-4-methylbenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	3.34	11.86	-19.58	2	7	0	88	518.433	9	↓ MOL2 SDF SMILES Flexibase

14011642

Analogs

10452593
10452599

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[[4-(1,1-dimethylethyl)benzoyl]amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[[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)	3.86	12.87	-20.59	2	7	0	88	481.618	10	↓ MOL2 SDF SMILES Flexibase

14011644

Analogs

10452593
10452599

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[[4-(1,1-dimethylethyl)benzoyl]amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[[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)	3.86	13	-21.01	2	7	0	88	481.618	10	↓ MOL2 SDF SMILES Flexibase

14011647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-methylbenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.55	11.21	-20.93	2	7	0	88	439.537	9	↓ MOL2 SDF SMILES Flexibase

14011649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-methylbenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.55	11.4	-20	2	7	0	88	439.537	9	↓ MOL2 SDF SMILES Flexibase

14011670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-bromobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.91	11.35	-21.81	2	7	0	88	504.406	9	↓ MOL2 SDF SMILES Flexibase

14011672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-bromobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.91	11.21	-22.65	2	7	0	88	504.406	9	↓ MOL2 SDF SMILES Flexibase

14011678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-fluorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.31	10.74	-20.45	2	7	0	88	443.5	9	↓ MOL2 SDF SMILES Flexibase

14011680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-fluorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.31	10.61	-20.1	2	7	0	88	443.5	9	↓ MOL2 SDF SMILES Flexibase

14011692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-methoxybenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.71	10.95	-24.77	2	8	0	97	455.536	10	↓ MOL2 SDF SMILES Flexibase

14011694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(2-methoxybenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.71	11.15	-24.42	2	8	0	97	455.536	10	↓ MOL2 SDF SMILES Flexibase

14011723

Analogs

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Popular Name: 2-piperazineacetic acid, 1-[[(3-chlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.80	11.18	-22.41	2	7	0	88	459.955	9	↓ MOL2 SDF SMILES Flexibase

14011725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3-chlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.80	11.06	-19.52	2	7	0	88	459.955	9	↓ MOL2 SDF SMILES Flexibase

14012605

Analogs

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Popular Name: 2-piperazineacetic acid, 1-[[(4-ethoxybenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(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)	2.58	10.8	-21.69	2	8	0	97	469.563	11	↓ MOL2 SDF SMILES Flexibase

14012608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-ethoxybenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenylethyl ester 2-piperazineacetic acid, 1-[[(4-…

Find On: PubMed — Wikipedia — Google

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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)	2.58	10.93	-22.1	2	8	0	97	469.563	11	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 9116
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 = 9116 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', {
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