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ZINC Item

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69235480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-cyclopropyl-3-[[(1R)-1,4-dimethylpentyl]carbamoyl]thiazolidine-4-carboxylic (2R,4R)-2-cyclopropyl-3-[[(1R)-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)	1.81	9.23	-42.86	1	5	-1	72	313.443	6	↓ MOL2 SDF SMILES Flexibase

69235481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-cyclopropyl-3-[[(1S)-1,4-dimethylpentyl]carbamoyl]thiazolidine-4-carboxylic (2R,4R)-2-cyclopropyl-3-[[(1S)-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)	1.81	9.14	-43.15	1	5	-1	72	313.443	6	↓ MOL2 SDF SMILES Flexibase

69235482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-cyclopropyl-3-[[(1R)-1,4-dimethylpentyl]carbamoyl]thiazolidine-4-carboxylic (2R,4S)-2-cyclopropyl-3-[[(1R)-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)	1.81	9.55	-58.04	1	5	-1	72	313.443	6	↓ MOL2 SDF SMILES Flexibase

69235483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-cyclopropyl-3-[[(1S)-1,4-dimethylpentyl]carbamoyl]thiazolidine-4-carboxylic (2R,4S)-2-cyclopropyl-3-[[(1S)-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)	1.81	9.79	-59.13	1	5	-1	72	313.443	6	↓ MOL2 SDF SMILES Flexibase

69457249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-cyclopropyl-3-[1,1-dimethylpropyl(methyl)carbamoyl]thiazolidine-4-carboxylic (2R,4R)-2-cyclopropyl-3-[1,1-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	8.17	-44.87	0	5	-1	64	299.416	4	↓ MOL2 SDF SMILES Flexibase

69457253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-cyclopropyl-3-[1,1-dimethylpropyl(methyl)carbamoyl]thiazolidine-4-carboxylic (2R,4S)-2-cyclopropyl-3-[1,1-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	7.62	-55.13	0	5	0	64	299.416	4	↓ MOL2 SDF SMILES Flexibase

69457255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-cyclopropyl-3-[1,1-dimethylpropyl(methyl)carbamoyl]thiazolidine-4-carboxylic (2S,4R)-2-cyclopropyl-3-[1,1-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	7.82	-17.25	0	5	0	64	299.416	4	↓ MOL2 SDF SMILES Flexibase

69457257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-cyclopropyl-3-[1,1-dimethylpropyl(methyl)carbamoyl]thiazolidine-4-carboxylic (2S,4S)-2-cyclopropyl-3-[1,1-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	8.54	-53.14	0	5	0	64	299.416	4	↓ MOL2 SDF SMILES Flexibase

69457824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-cyclopropyl-3-(2-methylsulfanylethylcarbamoyl)thiazolidine-4-carboxylic (2R,4R)-2-cyclopropyl-3-(2-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.08	6.61	-42.14	1	5	-1	72	289.402	5	↓ MOL2 SDF SMILES Flexibase

69457827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-cyclopropyl-3-(2-methylsulfanylethylcarbamoyl)thiazolidine-4-carboxylic (2R,4S)-2-cyclopropyl-3-(2-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.08	7.2	-59	1	5	-1	72	289.402	5	↓ MOL2 SDF SMILES Flexibase

69457828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-cyclopropyl-3-(2-methylsulfanylethylcarbamoyl)thiazolidine-4-carboxylic (2S,4R)-2-cyclopropyl-3-(2-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.08	6.36	-41.25	1	5	-1	72	289.402	5	↓ MOL2 SDF SMILES Flexibase

69457833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-cyclopropyl-3-(2-methylsulfanylethylcarbamoyl)thiazolidine-4-carboxylic (2S,4S)-2-cyclopropyl-3-(2-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.08	7.27	-58.3	1	5	-1	72	289.402	5	↓ MOL2 SDF SMILES Flexibase

69458338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-cyclopropyl-3-(3-methylsulfanylpropylcarbamoyl)thiazolidine-4-carboxylic (2R,4R)-2-cyclopropyl-3-(3-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.35	7.39	-43.59	1	5	-1	72	303.429	6	↓ MOL2 SDF SMILES Flexibase

69458345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-cyclopropyl-3-(3-methylsulfanylpropylcarbamoyl)thiazolidine-4-carboxylic (2R,4S)-2-cyclopropyl-3-(3-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.35	7.98	-56.3	1	5	-1	72	303.429	6	↓ MOL2 SDF SMILES Flexibase

69458351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-cyclopropyl-3-(3-methylsulfanylpropylcarbamoyl)thiazolidine-4-carboxylic (2S,4R)-2-cyclopropyl-3-(3-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.35	7.14	-42.38	1	5	-1	72	303.429	6	↓ MOL2 SDF SMILES Flexibase

69458353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-cyclopropyl-3-(3-methylsulfanylpropylcarbamoyl)thiazolidine-4-carboxylic (2S,4S)-2-cyclopropyl-3-(3-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.35	8.05	-55.63	1	5	-1	72	303.429	6	↓ MOL2 SDF SMILES Flexibase

69459040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-cyclopropyl-3-[[(2S)-2-methyl-3-methylsulfanyl-propyl]carbamoyl]thiazolidine-4-carboxylic (2R,4R)-2-cyclopropyl-3-[[(2S)-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)	0.82	8.06	-43.76	1	5	-1	72	317.456	6	↓ MOL2 SDF SMILES Flexibase

69459042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-cyclopropyl-3-[[(2R)-2-methyl-3-methylsulfanyl-propyl]carbamoyl]thiazolidine-4-carboxylic (2R,4R)-2-cyclopropyl-3-[[(2R)-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)	0.82	8.06	-43.24	1	5	-1	72	317.456	6	↓ MOL2 SDF SMILES Flexibase

69459047

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-cyclopropyl-3-[[(2S)-2-methyl-3-methylsulfanyl-propyl]carbamoyl]thiazolidine-4-carboxylic (2R,4S)-2-cyclopropyl-3-[[(2S)-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)	0.82	8.43	-56.03	1	5	-1	72	317.456	6	↓ MOL2 SDF SMILES Flexibase

69459051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-cyclopropyl-3-[[(2R)-2-methyl-3-methylsulfanyl-propyl]carbamoyl]thiazolidine-4-carboxylic (2R,4S)-2-cyclopropyl-3-[[(2R)-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)	0.82	8.65	-55.93	1	5	-1	72	317.456	6	↓ MOL2 SDF SMILES Flexibase

70088554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-(4-amino-4-methyl-pentanoyl)-2-cyclopropyl-thiazolidine-4-carboxylic (2R,4R)-3-(4-amino-4-methyl-pent…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.57	5.27	-56.49	3	5	0	88	286.397	5	↓ MOL2 SDF SMILES Flexibase

70088555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-(4-amino-4-methyl-pentanoyl)-2-cyclopropyl-thiazolidine-4-carboxylic (2R,4S)-3-(4-amino-4-methyl-pent…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.57	5.93	-76.59	3	5	0	88	286.397	5	↓ MOL2 SDF SMILES Flexibase

70088556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-3-(4-amino-4-methyl-pentanoyl)-2-cyclopropyl-thiazolidine-4-carboxylic (2S,4R)-3-(4-amino-4-methyl-pent…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.57	5.19	-55.97	3	5	0	88	286.397	5	↓ MOL2 SDF SMILES Flexibase

70088557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-(4-amino-4-methyl-pentanoyl)-2-cyclopropyl-thiazolidine-4-carboxylic (2S,4S)-3-(4-amino-4-methyl-pent…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.57	5.75	-75.75	3	5	0	88	286.397	5	↓ MOL2 SDF SMILES Flexibase

70203879

Analogs

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Popular Name: (2R,4R)-3-(5-aminopentanoyl)-2-cyclopropyl-thiazolidine-4-carboxylic (2R,4R)-3-(5-aminopentanoyl)-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)	-1.48	5.63	-83.8	3	5	0	88	272.37	6	↓ MOL2 SDF SMILES Flexibase

70203882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-3-(5-aminopentanoyl)-2-cyclopropyl-thiazolidine-4-carboxylic (2S,4R)-3-(5-aminopentanoyl)-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)	-1.48	5.1	-59.58	3	5	0	88	272.37	6	↓ MOL2 SDF SMILES Flexibase

70203883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-(5-aminopentanoyl)-2-cyclopropyl-thiazolidine-4-carboxylic (2R,4S)-3-(5-aminopentanoyl)-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)	-1.48	5.74	-84.35	3	5	0	88	272.37	6	↓ MOL2 SDF SMILES Flexibase

70203885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-3-(5-aminopentanoyl)-2-cyclopropyl-thiazolidine-4-carboxylic (2S,4S)-3-(5-aminopentanoyl)-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)	-1.48	5.16	-62.55	3	5	0	88	272.37	6	↓ MOL2 SDF SMILES Flexibase

70304627

Analogs

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Popular Name: (2R,4R)-2-cyclopropyl-3-[methyl-[2-(methylamino)ethyl]carbamoyl]thiazolidine-4-carboxylic (2R,4R)-2-cyclopropyl-3-[methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.97	6.17	-47.16	2	6	0	80	287.385	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.97	4.72	-45.28	1	6	-1	76	286.377	5	↓ MOL2 SDF SMILES Flexibase

70304628

Analogs

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Popular Name: (2R,4S)-2-cyclopropyl-3-[methyl-[2-(methylamino)ethyl]carbamoyl]thiazolidine-4-carboxylic (2R,4S)-2-cyclopropyl-3-[methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.97	5.78	-70.17	2	6	0	80	287.385	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.97	4.35	-62.32	1	6	-1	76	286.377	5	↓ MOL2 SDF SMILES Flexibase

70304629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-cyclopropyl-3-[methyl-[2-(methylamino)ethyl]carbamoyl]thiazolidine-4-carboxylic (2S,4R)-2-cyclopropyl-3-[methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.97	5.8	-49.18	2	6	0	80	287.385	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.97	4.35	-19.29	1	6	0	76	286.377	5	↓ MOL2 SDF SMILES Flexibase

70304630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-cyclopropyl-3-[methyl-[2-(methylamino)ethyl]carbamoyl]thiazolidine-4-carboxylic (2S,4S)-2-cyclopropyl-3-[methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.97	6.68	-74.13	2	6	0	80	287.385	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.97	5.23	-62.31	1	6	-1	76	286.377	5	↓ MOL2 SDF SMILES Flexibase

70318160

Analogs

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Popular Name: (2R,4R)-3-[(4S)-4-aminopentanoyl]-2-cyclopropyl-thiazolidine-4-carboxylic (2R,4R)-3-[(4S)-4-aminopentanoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.58	5.02	-42.62	3	5	0	88	272.37	5	↓ MOL2 SDF SMILES Flexibase

70318161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-3-[(4R)-4-aminopentanoyl]-2-cyclopropyl-thiazolidine-4-carboxylic (2R,4R)-3-[(4R)-4-aminopentanoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.58	5.02	-53.86	3	5	0	88	272.37	5	↓ MOL2 SDF SMILES Flexibase

70318162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[(4S)-4-aminopentanoyl]-2-cyclopropyl-thiazolidine-4-carboxylic (2R,4S)-3-[(4S)-4-aminopentanoyl…

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)	-1.58	5.7	-84.7	3	5	0	88	272.37	5	↓ MOL2 SDF SMILES Flexibase

70318163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-3-[(4R)-4-aminopentanoyl]-2-cyclopropyl-thiazolidine-4-carboxylic (2R,4S)-3-[(4R)-4-aminopentanoyl…

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)	-1.58	5.7	-87.2	3	5	0	88	272.37	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 324388
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 = 324388 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=324388&filter.purchasability=annotated

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": "324388"        

    });
</script>

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