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)	0.06	5.2	-45.06	3	3	1	44	258.436	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.06	4.86	-5.47	2	3	0	42	257.428	3	↓ MOL2 SDF SMILES Flexibase

54895325

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N,4-dimethyl-N-[(3S)-tetrahydrothiophen-3-yl]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)	0.06	5.17	-45.42	3	3	1	44	258.436	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.06	4.81	-5.45	2	3	0	42	257.428	3	↓ MOL2 SDF SMILES Flexibase

54895332

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[(3R)…

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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)	1.16	4.03	-46.5	3	3	1	44	230.382	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.16	3.63	-5.39	2	3	0	42	229.374	3	↓ MOL2 SDF SMILES Flexibase

54895334

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[(3S)…

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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)	1.16	3.99	-46.28	3	3	1	44	230.382	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.16	3.59	-5.38	2	3	0	42	229.374	3	↓ MOL2 SDF SMILES Flexibase

54895347

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	-0.16	4.7	-45.01	3	3	1	44	244.409	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.16	4.37	-4.93	2	3	0	42	243.401	3	↓ MOL2 SDF SMILES Flexibase

54895350

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	-0.16	4.7	-45.13	3	3	1	44	244.409	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.16	4.36	-5.25	2	3	0	42	243.401	3	↓ MOL2 SDF SMILES Flexibase

54902968

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.32	6.92	-39.75	2	3	1	33	272.463	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.32	5.64	-5.4	1	3	0	28	271.455	4	↓ MOL2 SDF SMILES Flexibase

54902970

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-[(3S)-tetrahydrothiophen-3-yl]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)	2.32	6.87	-40.11	2	3	1	33	272.463	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.32	5.59	-5.36	1	3	0	28	271.455	4	↓ MOL2 SDF SMILES Flexibase

54902972

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.69	7.75	-38.49	2	3	1	33	286.49	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	6.57	-5.2	1	3	0	28	285.482	5	↓ MOL2 SDF SMILES Flexibase

54902974

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.69	7.77	-38.27	2	3	1	33	286.49	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	6.56	-4.59	1	3	0	28	285.482	5	↓ MOL2 SDF SMILES Flexibase

54902976

Analogs

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Popular Name: N,4-dimethyl-5-[(1S)-1-(propylamino)ethyl]-N-[(3R)-tetrahydrothiophen-3-yl]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)	3.20	8.52	-39.14	2	3	1	33	300.517	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.20	7.32	-5.03	1	3	0	28	299.509	6	↓ MOL2 SDF SMILES Flexibase

54902977

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(propylamino)ethyl]-N-[(3R)-tetrahydrothiophen-3-yl]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)	3.20	8.53	-38.87	2	3	1	33	300.517	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.20	7.32	-4.42	1	3	0	28	299.509	6	↓ MOL2 SDF SMILES Flexibase

54902986

Analogs

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Popular Name: N-methyl-5-(methylaminomethyl)-N-[(3R)-tetrahydrothiophen-3-yl]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)	1.54	5.9	-41	2	3	1	33	244.409	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.54	4.46	-4.84	1	3	0	28	243.401	4	↓ MOL2 SDF SMILES Flexibase

54902987

Analogs

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Popular Name: N-methyl-5-(methylaminomethyl)-N-[(3S)-tetrahydrothiophen-3-yl]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)	1.54	5.86	-40.79	2	3	1	33	244.409	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.54	4.42	-4.9	1	3	0	28	243.401	4	↓ MOL2 SDF SMILES Flexibase

54902988

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	1.91	6.76	-40.11	2	3	1	33	258.436	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.91	5.39	-4.69	1	3	0	28	257.428	5	↓ MOL2 SDF SMILES Flexibase

54902990

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]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)	1.91	6.72	-39.95	2	3	1	33	258.436	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.91	5.35	-4.72	1	3	0	28	257.428	5	↓ MOL2 SDF SMILES Flexibase

54902992

Analogs

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Popular Name: N-methyl-5-(propylaminomethyl)-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.42	7.51	-40.95	2	3	1	33	272.463	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.42	6.15	-4.65	1	3	0	28	271.455	6	↓ MOL2 SDF SMILES Flexibase

54902993

Analogs

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Popular Name: N-methyl-5-(propylaminomethyl)-N-[(3S)-tetrahydrothiophen-3-yl]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)	2.42	7.48	-40.82	2	3	1	33	272.463	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.42	6.12	-4.61	1	3	0	28	271.455	6	↓ MOL2 SDF SMILES Flexibase

54902996

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.21	7.29	-38.56	2	3	1	33	272.463	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	6.06	-4.65	1	3	0	28	271.455	5	↓ MOL2 SDF SMILES Flexibase

54902998

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]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)	2.21	7.25	-38.36	2	3	1	33	272.463	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	6.03	-4.64	1	3	0	28	271.455	5	↓ MOL2 SDF SMILES Flexibase

54903003

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.72	7.72	-36.71	2	3	1	33	286.49	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.72	6.47	-4.45	1	3	0	28	285.482	5	↓ MOL2 SDF SMILES Flexibase

54903005

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]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)	2.72	7.66	-36.45	2	3	1	33	286.49	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.72	6.43	-4.5	1	3	0	28	285.482	5	↓ MOL2 SDF SMILES Flexibase

54903006

Analogs

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Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.66	8.21	-40.96	2	3	1	33	286.49	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.66	6.84	-4.52	1	3	0	28	285.482	6	↓ MOL2 SDF SMILES Flexibase

54903008

Analogs

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Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]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)	2.66	8.17	-40.77	2	3	1	33	286.49	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.66	6.8	-4.57	1	3	0	28	285.482	6	↓ MOL2 SDF SMILES Flexibase

54903010

Analogs

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Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	1.52	5.9	-40.59	2	4	1	42	288.462	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.52	4.47	-6.53	1	4	0	37	287.454	7	↓ MOL2 SDF SMILES Flexibase

54903012

Analogs

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Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]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)	1.52	5.86	-40.45	2	4	1	42	288.462	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.52	4.44	-6.58	1	4	0	37	287.454	7	↓ MOL2 SDF SMILES Flexibase

54903024

Analogs

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Popular Name: N-methyl-5-[(1S)-1-(methylamino)ethyl]-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.10	6.45	-39.66	2	3	1	33	258.436	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.10	5.17	-4.33	1	3	0	28	257.428	4	↓ MOL2 SDF SMILES Flexibase

54903026

Analogs

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Popular Name: N-methyl-5-[(1R)-1-(methylamino)ethyl]-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.10	6.45	-39.75	2	3	1	33	258.436	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.10	5.18	-4.92	1	3	0	28	257.428	4	↓ MOL2 SDF SMILES Flexibase

54903028

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.47	7.28	-38.26	2	3	1	33	272.463	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.47	6.12	-4.83	1	3	0	28	271.455	5	↓ MOL2 SDF SMILES Flexibase

54903030

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.47	7.29	-38.39	2	3	1	33	272.463	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.47	6.08	-4.1	1	3	0	28	271.455	5	↓ MOL2 SDF SMILES Flexibase

54903032

Analogs

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Popular Name: N-methyl-5-[(1S)-1-(propylamino)ethyl]-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.97	8.05	-38.98	2	3	1	33	286.49	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.97	6.87	-4.7	1	3	0	28	285.482	6	↓ MOL2 SDF SMILES Flexibase

54903033

Analogs

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Popular Name: N-methyl-5-[(1R)-1-(propylamino)ethyl]-N-[(3R)-tetrahydrothiophen-3-yl]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)	2.97	8.04	-39.09	2	3	1	33	286.49	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.97	6.84	-3.98	1	3	0	28	285.482	6	↓ MOL2 SDF SMILES Flexibase

54909864

Analogs

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Popular Name: 2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]thiazole-5-carboxylic 2-[methyl-[(3R)-tetrahydrothioph…

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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	6.58	-49.01	0	4	-1	56	243.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.55	6.96	-41.09	1	4	0	58	244.341	3	↓ MOL2 SDF SMILES Flexibase

54909866

Analogs

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Popular Name: 2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]thiazole-5-carboxylic 2-[methyl-[(3S)-tetrahydrothioph…

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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	6.56	-49	0	4	-1	56	243.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.55	6.93	-41.33	1	4	0	58	244.341	3	↓ MOL2 SDF SMILES Flexibase

54911008

Analogs

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Popular Name: (1R)-1-[4-methyl-2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-[methyl-[(3R)…

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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	4.59	-6.14	1	3	0	36	258.412	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.76	4.93	-28.01	2	3	1	38	259.42	3	↓ MOL2 SDF SMILES Flexibase

54911010

Analogs

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Popular Name: (1R)-1-[4-methyl-2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-[methyl-[(3S)…

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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	4.55	-6.08	1	3	0	36	258.412	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.76	4.89	-28.28	2	3	1	38	259.42	3	↓ MOL2 SDF SMILES Flexibase

54911015

Analogs

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Popular Name: [2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]thiazol-5-yl]methanol [2-[methyl-[(3R)-tetrahydrothiop…

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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)	1.31	3.29	-7.35	1	3	0	36	230.358	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.31	3.68	-29.44	2	3	1	38	231.366	3	↓ MOL2 SDF SMILES Flexibase

54911018

Analogs

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Popular Name: [2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]thiazol-5-yl]methanol [2-[methyl-[(3S)-tetrahydrothiop…

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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)	1.31	3.25	-7.47	1	3	0	36	230.358	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.31	3.65	-29.47	2	3	1	38	231.366	3	↓ MOL2 SDF SMILES Flexibase

54911027

Analogs

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Popular Name: (1S)-1-[2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]thiazol-5-yl]ethanol (1S)-1-[2-[methyl-[(3R)-tetrahyd…

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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)	1.54	4.09	-7.12	1	3	0	36	244.385	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.54	4.49	-30.13	2	3	1	38	245.393	3	↓ MOL2 SDF SMILES Flexibase

54911029

Analogs

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Popular Name: (1R)-1-[2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]thiazol-5-yl]ethanol (1R)-1-[2-[methyl-[(3R)-tetrahyd…

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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)	1.54	4.08	-7.04	1	3	0	36	244.385	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.54	4.48	-30.07	2	3	1	38	245.393	3	↓ MOL2 SDF SMILES Flexibase

54966793

Analogs

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Popular Name: 4-methyl-2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]thiazole-5-carbaldehyde 4-methyl-2-[methyl-[(3R)-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)	1.99	6.2	-9.44	0	3	0	33	242.369	3	↓ MOL2 SDF SMILES Flexibase

54966794

Analogs

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Popular Name: 4-methyl-2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]thiazole-5-carbaldehyde 4-methyl-2-[methyl-[(3S)-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)	1.99	6.15	-9.47	0	3	0	33	242.369	3	↓ MOL2 SDF SMILES Flexibase

54967264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]thiazole-5-carbaldehyde 4-ethyl-2-[methyl-[(3R)-tetrahyd…

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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)	2.56	6.92	-8.99	0	3	0	33	256.396	4	↓ MOL2 SDF SMILES Flexibase

54967265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]thiazole-5-carbaldehyde 4-ethyl-2-[methyl-[(3S)-tetrahyd…

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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)	2.56	6.88	-8.97	0	3	0	33	256.396	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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