ZINC 12

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)	0.30	4.87	-43.23	3	4	1	53	270.422	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.30	4.52	-5.49	2	4	0	51	269.414	4	↓ MOL2 SDF SMILES Flexibase

54896706

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N,4-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(1R)-1-aminoethyl]-N,4-dimeth…

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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)	0.30	4.81	-43.79	3	4	1	53	270.422	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.30	4.46	-7.63	2	4	0	51	269.414	4	↓ MOL2 SDF SMILES Flexibase

54896715

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[[(2S…

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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)	1.40	3.63	-44.83	3	4	1	53	242.368	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.40	3.23	-7.55	2	4	0	51	241.36	4	↓ MOL2 SDF SMILES Flexibase

54896718

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[[(2R…

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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)	1.40	3.74	-44.58	3	4	1	53	242.368	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.40	3.33	-5.46	2	4	0	51	241.36	4	↓ MOL2 SDF SMILES Flexibase

54896726

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-methyl-N…

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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	4.37	-43.08	3	4	1	53	256.395	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.08	4.03	-5.27	2	4	0	51	255.387	4	↓ MOL2 SDF SMILES Flexibase

54896729

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-methyl-N…

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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	4.37	-42.91	3	4	1	53	256.395	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.08	4.02	-5.12	2	4	0	51	255.387	4	↓ MOL2 SDF SMILES Flexibase

54906616

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N,4-dimethyl-5-[(1R)-1-(methylam…

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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	6.58	-37.96	2	4	1	42	284.449	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.55	5.3	-5.56	1	4	0	37	283.441	5	↓ MOL2 SDF SMILES Flexibase

54906619

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N,4-dimethyl-5-[(1R)-1-(methylam…

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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	6.52	-38.56	2	4	1	42	284.449	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.55	5.24	-7.76	1	4	0	37	283.441	5	↓ MOL2 SDF SMILES Flexibase

54906623

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-N,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)	2.93	7.42	-36.66	2	4	1	42	298.476	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.93	6.23	-5.2	1	4	0	37	297.468	6	↓ MOL2 SDF SMILES Flexibase

54906626

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-N,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)	2.93	7.44	-36.4	2	4	1	42	298.476	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.93	6.23	-4.58	1	4	0	37	297.468	6	↓ MOL2 SDF SMILES Flexibase

54906629

Analogs

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Popular Name: N,4-dimethyl-5-[(1S)-1-(propylamino)ethyl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N,4-dimethyl-5-[(1S)-1-(propylam…

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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	8.18	-37.26	2	4	1	42	312.503	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.43	6.99	-5.09	1	4	0	37	311.495	7	↓ MOL2 SDF SMILES Flexibase

54906632

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(propylamino)ethyl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N,4-dimethyl-5-[(1R)-1-(propylam…

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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	8.2	-36.97	2	4	1	42	312.503	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.43	6.98	-4.41	1	4	0	37	311.495	7	↓ MOL2 SDF SMILES Flexibase

54906636

Analogs

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Popular Name: N-methyl-5-(methylaminomethyl)-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N-methyl-5-(methylaminomethyl)-N…

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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)	1.77	5.57	-39.28	2	4	1	42	256.395	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.77	4.12	-4.83	1	4	0	37	255.387	5	↓ MOL2 SDF SMILES Flexibase

54906639

Analogs

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Popular Name: N-methyl-5-(methylaminomethyl)-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N-methyl-5-(methylaminomethyl)-N…

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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)	1.77	5.52	-39.52	2	4	1	42	256.395	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.77	4.07	-7.11	1	4	0	37	255.387	5	↓ MOL2 SDF SMILES Flexibase

54906642

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-(ethylaminomethyl)-N-methyl-N-…

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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)	2.15	6.43	-38.31	2	4	1	42	270.422	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.15	5.06	-4.6	1	4	0	37	269.414	6	↓ MOL2 SDF SMILES Flexibase

54906644

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-(ethylaminomethyl)-N-methyl-N-…

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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)	2.15	6.38	-38.56	2	4	1	42	270.422	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.15	5	-6.92	1	4	0	37	269.414	6	↓ MOL2 SDF SMILES Flexibase

54906647

Analogs

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Popular Name: N-methyl-5-(propylaminomethyl)-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N-methyl-5-(propylaminomethyl)-N…

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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)	2.65	7.18	-39.13	2	4	1	42	284.449	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.65	5.82	-4.47	1	4	0	37	283.441	7	↓ MOL2 SDF SMILES Flexibase

54906649

Analogs

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Popular Name: N-methyl-5-(propylaminomethyl)-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N-methyl-5-(propylaminomethyl)-N…

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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)	2.65	7.13	-39.33	2	4	1	42	284.449	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.65	5.77	-6.77	1	4	0	37	283.441	7	↓ MOL2 SDF SMILES Flexibase

54906651

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(isopropylamino)methyl]-N-met…

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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)	2.44	6.95	-36.6	2	4	1	42	284.449	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.44	5.75	-4.44	1	4	0	37	283.441	6	↓ MOL2 SDF SMILES Flexibase

54906653

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(isopropylamino)methyl]-N-met…

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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)	2.44	6.9	-36.89	2	4	1	42	284.449	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.44	5.7	-6.71	1	4	0	37	283.441	6	↓ MOL2 SDF SMILES Flexibase

54906658

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(tert-butylamino)methyl]-N-me…

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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)	2.96	7.39	-34.89	2	4	1	42	298.476	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.96	6.13	-4.34	1	4	0	37	297.468	6	↓ MOL2 SDF SMILES Flexibase

54906660

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(tert-butylamino)methyl]-N-me…

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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)	2.96	7.34	-35.12	2	4	1	42	298.476	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.96	6.08	-6.7	1	4	0	37	297.468	6	↓ MOL2 SDF SMILES Flexibase

54906663

Analogs

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Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(isobutylamino)methyl]-N-meth…

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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)	2.89	7.87	-39.06	2	4	1	42	298.476	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.89	6.65	-4.31	1	4	0	37	297.468	7	↓ MOL2 SDF SMILES Flexibase

54906666

Analogs

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Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(isobutylamino)methyl]-N-meth…

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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)	2.89	7.82	-39.17	2	4	1	42	298.476	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.89	6.6	-6.61	1	4	0	37	297.468	7	↓ MOL2 SDF SMILES Flexibase

54906669

Analogs

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Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(2-methoxyethylamino)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)	1.76	5.5	-38.99	2	5	1	51	300.448	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.76	4.08	-8.79	1	5	0	47	299.44	8	↓ MOL2 SDF SMILES Flexibase

54906670

Analogs

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Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(2-methoxyethylamino)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)	1.76	5.61	-38.78	2	5	1	51	300.448	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.76	4.18	-6.81	1	5	0	47	299.44	8	↓ MOL2 SDF SMILES Flexibase

54906680

Analogs

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Popular Name: N-methyl-5-[(1S)-1-(methylamino)ethyl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N-methyl-5-[(1S)-1-(methylamino)…

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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)	2.33	6.08	-37.83	2	4	1	42	270.422	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.33	4.77	-4.46	1	4	0	37	269.414	5	↓ MOL2 SDF SMILES Flexibase

54906682

Analogs

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Popular Name: N-methyl-5-[(1R)-1-(methylamino)ethyl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N-methyl-5-[(1R)-1-(methylamino)…

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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)	2.33	6.07	-37.65	2	4	1	42	270.422	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.33	4.81	-5.13	1	4	0	37	269.414	5	↓ MOL2 SDF SMILES Flexibase

54906684

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-N-m…

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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	6.92	-36.47	2	4	1	42	284.449	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.71	5.74	-4.82	1	4	0	37	283.441	6	↓ MOL2 SDF SMILES Flexibase

54906686

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-N-m…

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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	6.92	-36.29	2	4	1	42	284.449	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.71	5.71	-4.23	1	4	0	37	283.441	6	↓ MOL2 SDF SMILES Flexibase

54906688

Analogs

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Popular Name: N-methyl-5-[(1S)-1-(propylamino)ethyl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N-methyl-5-[(1S)-1-(propylamino)…

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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)	3.21	7.69	-37.08	2	4	1	42	298.476	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	6.5	-4.74	1	4	0	37	297.468	7	↓ MOL2 SDF SMILES Flexibase

54906691

Analogs

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Popular Name: N-methyl-5-[(1R)-1-(propylamino)ethyl]-N-[[(2S)-tetrahydropyran-2-yl]methyl]thiazol-2-amine N-methyl-5-[(1R)-1-(propylamino)…

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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)	3.21	7.67	-36.94	2	4	1	42	298.476	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	6.46	-4.08	1	4	0	37	297.468	7	↓ MOL2 SDF SMILES Flexibase

54909952

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]thiazole-5-carboxylic 2-[methyl-[[(2S)-tetrahydropyran…

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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	6.2	-55.32	0	5	-1	65	255.319	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.78	6.67	-42.28	1	5	0	67	256.327	4	↓ MOL2 SDF SMILES Flexibase

54909953

Analogs

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Popular Name: 2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]thiazole-5-carboxylic 2-[methyl-[[(2R)-tetrahydropyran…

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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	6.3	-50.71	0	5	-1	65	255.319	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.78	6.75	-39.08	1	5	0	67	256.327	4	↓ MOL2 SDF SMILES Flexibase

54911736

Analogs

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Popular Name: (1R)-1-[4-methyl-2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-[methyl-[[(2S…

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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	4.25	-6.03	1	4	0	46	270.398	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.00	4.67	-24.12	2	4	1	47	271.406	4	↓ MOL2 SDF SMILES Flexibase

54911737

Analogs

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Popular Name: (1R)-1-[4-methyl-2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-[methyl-[[(2R…

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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	4.19	-8.27	1	4	0	46	270.398	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.00	4.63	-24.07	2	4	1	47	271.406	4	↓ MOL2 SDF SMILES Flexibase

54911742

Analogs

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Popular Name: [2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]thiazol-5-yl]methanol [2-[methyl-[[(2S)-tetrahydropyra…

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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)	1.55	2.89	-9.93	1	4	0	46	242.344	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.55	3.37	-25.74	2	4	1	47	243.352	4	↓ MOL2 SDF SMILES Flexibase

54911744

Analogs

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Popular Name: [2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]thiazol-5-yl]methanol [2-[methyl-[[(2R)-tetrahydropyra…

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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)	1.55	3	-7.61	1	4	0	46	242.344	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.55	3.47	-26.13	2	4	1	47	243.352	4	↓ MOL2 SDF SMILES Flexibase

54927653

Analogs

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Popular Name: (1S)-1-[2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]thiazol-5-yl]ethanol (1S)-1-[2-[methyl-[[(2S)-tetrahy…

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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	3.75	-7	1	4	0	46	256.371	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.78	4.23	-26.86	2	4	1	47	257.379	4	↓ MOL2 SDF SMILES Flexibase

54927654

Analogs

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Popular Name: (1R)-1-[2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]thiazol-5-yl]ethanol (1R)-1-[2-[methyl-[[(2S)-tetrahy…

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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	3.74	-6.93	1	4	0	46	256.371	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.78	4.22	-26.83	2	4	1	47	257.379	4	↓ MOL2 SDF SMILES Flexibase

54966868

Analogs

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Popular Name: 4-methyl-2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]thiazole-5-carbaldehyde 4-methyl-2-[methyl-[[(2S)-tetrah…

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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)	2.22	5.92	-9.45	0	4	0	42	254.355	4	↓ MOL2 SDF SMILES Flexibase

54966869

Analogs

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Popular Name: 4-methyl-2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]thiazole-5-carbaldehyde 4-methyl-2-[methyl-[[(2R)-tetrah…

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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)	2.22	5.9	-11.52	0	4	0	42	254.355	4	↓ MOL2 SDF SMILES Flexibase

54967534

Analogs

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Popular Name: 4-ethyl-2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]thiazole-5-carbaldehyde 4-ethyl-2-[methyl-[[(2S)-tetrahy…

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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	6.65	-8.99	0	4	0	42	268.382	5	↓ MOL2 SDF SMILES Flexibase

54967535

Analogs

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Popular Name: 4-ethyl-2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]thiazole-5-carbaldehyde 4-ethyl-2-[methyl-[[(2R)-tetrahy…

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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	6.63	-10.99	0	4	0	42	268.382	5	↓ 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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