ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

52341574

Analogs

42581438
42581441
42581444
42581447

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexylethyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-cyclohexylethyl]-4,5-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	6.24	-26.4	2	2	1	26	213.37	3	↓ MOL2 SDF SMILES Flexibase

52341576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylethyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-cyclohexylethyl]-4,5-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	6.22	-26.46	2	2	1	26	213.37	3	↓ MOL2 SDF SMILES Flexibase

52341578

Analogs

42581462
42581465
42581468
42581471

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-cyclohexylethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-cyclohexylethyl]-…

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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)	3.88	7.98	-24.95	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-cyclohexylethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-cyclohexylethyl]-…

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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)	3.88	7.76	-24.88	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-cyclohexylethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-cyclohexylethyl]-…

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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)	3.88	7.98	-24.92	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-cyclohexylethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-cyclohexylethyl]-…

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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)	3.88	7.98	-24.94	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341584

Analogs

42581474
42581477
42581480
42581483

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexylethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1S)-1-cyclohexylethyl]-4,4-d…

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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)	3.82	7.6	-23.98	2	2	1	26	241.424	3	↓ MOL2 SDF SMILES Flexibase

52341585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1R)-1-cyclohexylethyl]-4,4-d…

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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)	3.82	7.59	-23.97	2	2	1	26	241.424	3	↓ MOL2 SDF SMILES Flexibase

52341586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1S)-1-cyclohexylethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-1-cyclohexylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	6.95	-25.62	2	2	1	26	227.397	3	↓ MOL2 SDF SMILES Flexibase

52341587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1S)-1-cyclohexylethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-1-cyclohexylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	6.94	-25.77	2	2	1	26	227.397	3	↓ MOL2 SDF SMILES Flexibase

52341588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1R)-1-cyclohexylethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-1-cyclohexylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	7.16	-25.77	2	2	1	26	227.397	3	↓ MOL2 SDF SMILES Flexibase

52341590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1R)-1-cyclohexylethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-1-cyclohexylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	7.15	-25.9	2	2	1	26	227.397	3	↓ MOL2 SDF SMILES Flexibase

52341599

Analogs

42581499
42581502
42581505
42581509

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-cyclohexylethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-cyclohexylethyl]-…

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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	6.97	-25.35	2	2	1	26	227.397	3	↓ MOL2 SDF SMILES Flexibase

52341601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-cyclohexylethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-cyclohexylethyl]-…

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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	7.17	-25.11	2	2	1	26	227.397	3	↓ MOL2 SDF SMILES Flexibase

52341603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-cyclohexylethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-cyclohexylethyl]-…

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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	7.19	-25.46	2	2	1	26	227.397	3	↓ MOL2 SDF SMILES Flexibase

52341606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-cyclohexylethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-cyclohexylethyl]-…

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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	7.17	-25.09	2	2	1	26	227.397	3	↓ MOL2 SDF SMILES Flexibase

52341608

Analogs

40795830
40795833
40795836
40795839

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-cyclohexylethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-cyclohexylethyl]-…

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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)	4.65	9.25	-25.61	2	2	1	26	269.478	5	↓ MOL2 SDF SMILES Flexibase

52341610

Analogs

40795830
40795833
40795836
40795839

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-cyclohexylethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-cyclohexylethyl]-…

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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)	4.65	9.05	-25.49	2	2	1	26	269.478	5	↓ MOL2 SDF SMILES Flexibase

52341613

Analogs

40795830
40795833
40795836
40795839

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-cyclohexylethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-cyclohexylethyl]-…

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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)	4.65	9.25	-25.61	2	2	1	26	269.478	5	↓ MOL2 SDF SMILES Flexibase

52341614

Analogs

40795830
40795833
40795836
40795839

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-cyclohexylethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-cyclohexylethyl]-…

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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)	4.65	9.26	-25.6	2	2	1	26	269.478	5	↓ MOL2 SDF SMILES Flexibase

52341620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexylpropyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-cyclohexylpropyl]-4,5-…

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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)	3.55	6.53	-26.51	2	2	1	26	227.397	4	↓ MOL2 SDF SMILES Flexibase

52341622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylpropyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-cyclohexylpropyl]-4,5-…

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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)	3.55	6.65	-26.15	2	2	1	26	227.397	4	↓ MOL2 SDF SMILES Flexibase

52341624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-cyclohexylpropyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-cyclohexylpropyl]…

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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)	4.42	8.06	-24.75	2	2	1	26	255.451	5	↓ MOL2 SDF SMILES Flexibase

52341626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-cyclohexylpropyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-cyclohexylpropyl]…

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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)	4.42	8.16	-24.67	2	2	1	26	255.451	5	↓ MOL2 SDF SMILES Flexibase

52341628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-cyclohexylpropyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-cyclohexylpropyl]…

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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)	4.42	8.18	-24.71	2	2	1	26	255.451	5	↓ MOL2 SDF SMILES Flexibase

52341629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-cyclohexylpropyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-cyclohexylpropyl]…

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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)	4.42	8.18	-24.6	2	2	1	26	255.451	5	↓ MOL2 SDF SMILES Flexibase

52341632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexylpropyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1S)-1-cyclohexylpropyl]-4,4-…

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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)	4.36	8	-23.78	2	2	1	26	255.451	4	↓ MOL2 SDF SMILES Flexibase

52341633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylpropyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1R)-1-cyclohexylpropyl]-4,4-…

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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)	4.36	8.02	-23.75	2	2	1	26	255.451	4	↓ MOL2 SDF SMILES Flexibase

52341636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1S)-1-cyclohexylpropyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-1-cyclohexylpropyl]…

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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)	3.91	7.24	-25.64	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1R)-1-cyclohexylpropyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-1-cyclohexylpropyl]…

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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)	3.91	7.25	-25.55	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1S)-1-cyclohexylpropyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-1-cyclohexylpropyl]…

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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)	3.91	7.24	-25.8	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1R)-1-cyclohexylpropyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-1-cyclohexylpropyl]…

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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)	3.91	7.36	-25.51	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-cyclohexylpropyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-cyclohexylpropyl]…

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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)	3.88	7.27	-25.45	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341653

Analogs

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Popular Name: (4R)-N-[(1R)-1-cyclohexylpropyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-cyclohexylpropyl]…

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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)	3.88	7.28	-25.31	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341655

Analogs

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Popular Name: (4S)-N-[(1S)-1-cyclohexylpropyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-cyclohexylpropyl]…

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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)	3.88	7.26	-24.99	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341657

Analogs

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Popular Name: (4S)-N-[(1R)-1-cyclohexylpropyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-cyclohexylpropyl]…

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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)	3.88	7.38	-24.67	2	2	1	26	241.424	4	↓ MOL2 SDF SMILES Flexibase

52341659

Analogs

40795830
40795833
40795836
40795839

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-cyclohexylpropyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-cyclohexylpropyl]…

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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)	5.19	9.35	-25.42	2	2	1	26	283.505	6	↓ MOL2 SDF SMILES Flexibase

52341661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-cyclohexylpropyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-cyclohexylpropyl]…

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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)	5.19	9.46	-25.38	2	2	1	26	283.505	6	↓ MOL2 SDF SMILES Flexibase

52341663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-cyclohexylpropyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-cyclohexylpropyl]…

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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)	5.19	9.35	-25.53	2	2	1	26	283.505	6	↓ MOL2 SDF SMILES Flexibase

52341665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-cyclohexylpropyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-cyclohexylpropyl]…

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)	5.19	9.36	-25.43	2	2	1	26	283.505	6	↓ MOL2 SDF SMILES Flexibase

69758713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-N-(cyclohexylmethyl)-N-methyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-(cyclohex…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	8.88	-29.53	1	2	1	17	306.293	4	↓ MOL2 SDF SMILES Flexibase

69758714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-N-(cyclohexylmethyl)-N-methyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-(cyclohex…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	8.88	-29.63	1	2	1	17	306.293	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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<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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