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)	2.03	5.7	-7.65	0	4	0	42	254.355	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.03	6.13	-29.92	1	4	1	44	255.363	2	↓ MOL2 SDF SMILES Flexibase

54861522

Analogs

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Popular Name: 1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(2R,6R)-2,6-dimethylmorpho…

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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)	2.03	5.79	-7.88	0	4	0	42	254.355	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.03	6.22	-29.95	1	4	1	44	255.363	2	↓ MOL2 SDF SMILES Flexibase

54861524

Analogs

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Popular Name: 1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(2S,6S)-2,6-dimethylmorpho…

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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)	2.03	5.79	-7.48	0	4	0	42	254.355	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.03	6.22	-30.04	1	4	1	44	255.363	2	↓ MOL2 SDF SMILES Flexibase

54861562

Analogs

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Popular Name: 2-[(2R)-2-methylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(2R)-2-methylmorpholin-4-yl]t…

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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)	1.33	3.61	-8.29	0	4	0	42	212.274	2	↓ MOL2 SDF SMILES Flexibase

54861563

Analogs

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Popular Name: 2-[(2S)-2-methylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(2S)-2-methylmorpholin-4-yl]t…

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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)	1.33	3.61	-8.29	0	4	0	42	212.274	2	↓ MOL2 SDF SMILES Flexibase

54861580

Analogs

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Popular Name: 1-[2-[(2R)-2-methylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(2R)-2-methylmorpholin-4-y…

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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)	1.44	4.32	-9.52	0	4	0	42	226.301	2	↓ MOL2 SDF SMILES Flexibase

54861582

Analogs

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Popular Name: 1-[2-[(2S)-2-methylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(2S)-2-methylmorpholin-4-y…

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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)	1.44	4.32	-9.54	0	4	0	42	226.301	2	↓ MOL2 SDF SMILES Flexibase

54861584

Analogs

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Popular Name: 1-[4-methyl-2-[(2R)-2-methylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[4-methyl-2-[(2R)-2-methylmorp…

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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)	1.66	4.93	-8.07	0	4	0	42	240.328	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.66	5.35	-29.99	1	4	1	44	241.336	2	↓ MOL2 SDF SMILES Flexibase

54861586

Analogs

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Popular Name: 1-[4-methyl-2-[(2S)-2-methylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[4-methyl-2-[(2S)-2-methylmorp…

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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)	1.66	4.94	-8.02	0	4	0	42	240.328	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.66	5.37	-29.99	1	4	1	44	241.336	2	↓ MOL2 SDF SMILES Flexibase

54862131

Analogs

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Popular Name: 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(2R,5R)-2,5-dimethylmorpholin…

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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)	1.66	4.35	-7.85	0	4	0	42	226.301	2	↓ MOL2 SDF SMILES Flexibase

54862133

Analogs

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Popular Name: 2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(2S,5R)-2,5-dimethylmorpholin…

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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)	1.66	4.8	-7.51	0	4	0	42	226.301	2	↓ MOL2 SDF SMILES Flexibase

54862142

Analogs

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Popular Name: 1-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(2R,5R)-2,5-dimethylmorpho…

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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	5.12	-9.31	0	4	0	42	240.328	2	↓ MOL2 SDF SMILES Flexibase

54862143

Analogs

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Popular Name: 1-[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(2S,5R)-2,5-dimethylmorpho…

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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	-9.16	0	4	0	42	240.328	2	↓ MOL2 SDF SMILES Flexibase

54862144

Analogs

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Popular Name: 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(2S,5S)-2,5-dimethylmorpho…

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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	5.67	-7.71	0	4	0	42	254.355	2	↓ MOL2 SDF SMILES Flexibase

54862145

Analogs

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Popular Name: 1-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(2R,5S)-2,5-dimethylmorpho…

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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	6.11	-7.29	0	4	0	42	254.355	2	↓ MOL2 SDF SMILES Flexibase

54862146

Analogs

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Popular Name: 2-[(3R)-3-methylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(3R)-3-methylmorpholin-4-yl]t…

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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)	1.30	4.05	-7.87	0	4	0	42	212.274	2	↓ MOL2 SDF SMILES Flexibase

54862147

Analogs

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Popular Name: 2-[(3S)-3-methylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(3S)-3-methylmorpholin-4-yl]t…

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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)	1.30	4.05	-7.88	0	4	0	42	212.274	2	↓ MOL2 SDF SMILES Flexibase

54862159

Analogs

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Popular Name: 1-[2-[(3R)-3-methylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(3R)-3-methylmorpholin-4-y…

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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)	1.41	4.76	-9.42	0	4	0	42	226.301	2	↓ MOL2 SDF SMILES Flexibase

54862161

Analogs

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Popular Name: 1-[2-[(3S)-3-methylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(3S)-3-methylmorpholin-4-y…

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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)	1.41	4.76	-9.44	0	4	0	42	226.301	2	↓ MOL2 SDF SMILES Flexibase

54862163

Analogs

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Popular Name: 1-[4-methyl-2-[(3S)-3-methylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[4-methyl-2-[(3S)-3-methylmorp…

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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)	1.63	5.36	-7.67	0	4	0	42	240.328	2	↓ MOL2 SDF SMILES Flexibase

54862165

Analogs

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Popular Name: 1-[4-methyl-2-[(3R)-3-methylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[4-methyl-2-[(3R)-3-methylmorp…

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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)	1.63	5.33	-7.69	0	4	0	42	240.328	2	↓ MOL2 SDF SMILES Flexibase

54862167

Analogs

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Popular Name: 2-[(2R)-2-ethylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(2R)-2-ethylmorpholin-4-yl]th…

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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)	1.84	4.45	-8.16	0	4	0	42	226.301	3	↓ MOL2 SDF SMILES Flexibase

54862168

Analogs

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Popular Name: 2-[(2S)-2-ethylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(2S)-2-ethylmorpholin-4-yl]th…

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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)	1.84	4.45	-8.15	0	4	0	42	226.301	3	↓ MOL2 SDF SMILES Flexibase

54862177

Analogs

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Popular Name: 1-[2-[(2R)-2-ethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(2R)-2-ethylmorpholin-4-yl…

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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)	1.94	5.16	-9.39	0	4	0	42	240.328	3	↓ MOL2 SDF SMILES Flexibase

54862179

Analogs

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Popular Name: 1-[2-[(2S)-2-ethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(2S)-2-ethylmorpholin-4-yl…

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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)	1.94	5.16	-9.4	0	4	0	42	240.328	3	↓ MOL2 SDF SMILES Flexibase

54862182

Analogs

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Popular Name: 1-[2-[(2R)-2-ethylmorpholin-4-yl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(2R)-2-ethylmorpholin-4-yl…

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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)	2.17	5.77	-7.91	0	4	0	42	254.355	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.17	6.16	-29.97	1	4	1	44	255.363	3	↓ MOL2 SDF SMILES Flexibase

54862184

Analogs

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Popular Name: 1-[2-[(2S)-2-ethylmorpholin-4-yl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(2S)-2-ethylmorpholin-4-yl…

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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)	2.17	5.77	-7.92	0	4	0	42	254.355	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.17	6.16	-29.95	1	4	1	44	255.363	3	↓ MOL2 SDF SMILES Flexibase

54862354

Analogs

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Popular Name: 2-(2,2-dimethylmorpholin-4-yl)thiazole-5-carbaldehyde 2-(2,2-dimethylmorpholin-4-yl)th…

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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	4.38	-7.97	0	4	0	42	226.301	2	↓ MOL2 SDF SMILES Flexibase

54862359

Analogs

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Popular Name: 1-[2-(2,2-dimethylmorpholin-4-yl)thiazol-5-yl]ethanone 1-[2-(2,2-dimethylmorpholin-4-yl…

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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)	1.89	5.15	-9.35	0	4	0	42	240.328	2	↓ MOL2 SDF SMILES Flexibase

54862362

Analogs

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Popular Name: 1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-thiazol-5-yl]ethanone 1-[2-(2,2-dimethylmorpholin-4-yl…

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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)	2.11	5.7	-7.71	0	4	0	42	254.355	2	↓ MOL2 SDF SMILES Flexibase

54862373

Analogs

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Popular Name: 2-[(3R)-3-ethylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(3R)-3-ethylmorpholin-4-yl]th…

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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)	1.84	4.66	-7.74	0	4	0	42	226.301	3	↓ MOL2 SDF SMILES Flexibase

54862375

Analogs

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Popular Name: 2-[(3S)-3-ethylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(3S)-3-ethylmorpholin-4-yl]th…

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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)	1.84	4.63	-7.73	0	4	0	42	226.301	3	↓ MOL2 SDF SMILES Flexibase

54862384

Analogs

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Popular Name: 1-[2-[(3R)-3-ethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(3R)-3-ethylmorpholin-4-yl…

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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)	1.94	5.33	-9.12	0	4	0	42	240.328	3	↓ MOL2 SDF SMILES Flexibase

54862386

Analogs

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Popular Name: 1-[2-[(3S)-3-ethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(3S)-3-ethylmorpholin-4-yl…

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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)	1.94	5.3	-9.13	0	4	0	42	240.328	3	↓ MOL2 SDF SMILES Flexibase

54862388

Analogs

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Popular Name: 1-[2-[(3R)-3-ethylmorpholin-4-yl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(3R)-3-ethylmorpholin-4-yl…

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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)	2.17	5.95	-7.58	0	4	0	42	254.355	3	↓ MOL2 SDF SMILES Flexibase

54862389

Analogs

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Popular Name: 1-[2-[(3S)-3-ethylmorpholin-4-yl]-4-methyl-thiazol-5-yl]ethanone 1-[2-[(3S)-3-ethylmorpholin-4-yl…

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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)	2.17	5.92	-7.53	0	4	0	42	254.355	3	↓ MOL2 SDF SMILES Flexibase

54863227

Analogs

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Popular Name: 2-[(6R)-2,2,6-trimethylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(6R)-2,2,6-trimethylmorpholin…

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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)	2.14	5.11	-7.58	0	4	0	42	240.328	2	↓ MOL2 SDF SMILES Flexibase

54863230

Analogs

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Popular Name: 2-[(6S)-2,2,6-trimethylmorpholin-4-yl]thiazole-5-carbaldehyde 2-[(6S)-2,2,6-trimethylmorpholin…

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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)	2.14	5.11	-7.56	0	4	0	42	240.328	2	↓ MOL2 SDF SMILES Flexibase

54863239

Analogs

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Popular Name: 1-[2-[(6R)-2,2,6-trimethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(6R)-2,2,6-trimethylmorpho…

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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)	2.25	5.78	-8.87	0	4	0	42	254.355	2	↓ MOL2 SDF SMILES Flexibase

54863241

Analogs

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Popular Name: 1-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[2-[(6S)-2,2,6-trimethylmorpho…

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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)	2.25	5.78	-8.89	0	4	0	42	254.355	2	↓ MOL2 SDF SMILES Flexibase

54863244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-methyl-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[4-methyl-2-[(6S)-2,2,6-trimet…

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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	6.41	-7.36	0	4	0	42	268.382	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.47	6.81	-29.7	1	4	1	44	269.39	2	↓ MOL2 SDF SMILES Flexibase

54863245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-methyl-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]thiazol-5-yl]ethanone 1-[4-methyl-2-[(6R)-2,2,6-trimet…

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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	6.43	-7.33	0	4	0	42	268.382	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.47	6.83	-29.69	1	4	1	44	269.39	2	↓ MOL2 SDF SMILES Flexibase

54863487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]thiazole-5-carbaldehyde 2-[(2R,5R)-5-ethyl-2-methyl-morp…

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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)	2.20	5.24	-7.6	0	4	0	42	240.328	3	↓ MOL2 SDF SMILES Flexibase

54863489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]thiazole-5-carbaldehyde 2-[(2R,5S)-5-ethyl-2-methyl-morp…

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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)	2.20	5.38	-7.35	0	4	0	42	240.328	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 24020
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 = 24020 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=24020&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": "24020"        

    });
</script>

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