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ZINC Item

Suppliers, Protomers, & Similar Substances

46128957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]oxazinane 2-[[3-(3-fluoro-4-methoxy-phenyl…

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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)	2.23	5.81	-8.52	1	5	0	50	291.326	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.23	6.17	-40.77	2	5	1	52	292.334	4	↓ MOL2 SDF SMILES Flexibase

11814928

Analogs

11814931

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[3-(oxazinan-2-yl)propanoyl]-3-piperidyl]propanamide N-[(2,4-dimethoxyphenyl)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)	2.19	-3.31	-13.47	1	8	0	80	447.576	10	↓ MOL2 SDF SMILES Flexibase

11814931

Analogs

11814928

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]-3-piperidyl]propanamide N-[(2,4-dimethoxyphenyl)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)	2.19	-3.3	-13.85	1	8	0	80	447.576	10	↓ MOL2 SDF SMILES Flexibase

11816200

Analogs

11816201

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-isopentyl-3-[2-(oxazinan-2-yl)-2-oxo-ethyl]piperazin-2-one (3S)-4-isopentyl-3-[2-(oxazinan-…

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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)	2.16	-1.17	-38.81	2	6	1	63	298.407	5	↓ MOL2 SDF SMILES Flexibase

11816201

Analogs

11816200

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-isopentyl-3-[2-(oxazinan-2-yl)-2-oxo-ethyl]piperazin-2-one (3R)-4-isopentyl-3-[2-(oxazinan-…

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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)	2.16	-1.17	-37.32	2	6	1	63	298.407	5	↓ MOL2 SDF SMILES Flexibase

11816723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]oxazinane 2-[[2-(2,2-dimethylpropylsulfony…

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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)	1.88	-4.04	-14.38	0	7	0	74	359.492	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.88	-3.77	-34.3	1	7	1	75	360.5	8	↓ MOL2 SDF SMILES Flexibase

11817472

Analogs

11817473

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(oxazinan-2-yl)propanamide N-[(4R)-1-(4-fluorophenyl)-6,6-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)	2.28	8.33	-11.79	1	6	0	59	400.498	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.28	9.65	-40.9	2	6	1	61	401.506	5	↓ MOL2 SDF SMILES Flexibase

11817473

Analogs

11817472

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(oxazinan-2-yl)propanamide N-[(4S)-1-(4-fluorophenyl)-6,6-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)	2.28	8.38	-11.72	1	6	0	59	400.498	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.28	9.71	-40.77	2	6	1	61	401.506	5	↓ MOL2 SDF SMILES Flexibase

11818091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[2-methoxy-5-(oxazinane-2-carbonyl)phenoxy]-1-piperidyl]ethanone 1-[4-[2-methoxy-5-(oxazinane-2-c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.43	0.32	-16.04	0	7	0	68	362.426	4	↓ MOL2 SDF SMILES Flexibase

11818753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(7-methoxy-2-naphthyl)oxymethyl]oxazol-4-yl]-(oxazinan-2-yl)methanone [2-[(7-methoxy-2-naphthyl)oxymet…

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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)	3.37	-0.55	-14.73	0	7	0	74	368.389	5	↓ MOL2 SDF SMILES Flexibase

11819361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-(oxazinan-2-yl)methanone [5-(1,3-benzodioxol-5-yloxymethy…

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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	4.28	-16.54	1	8	0	86	331.328	4	↓ MOL2 SDF SMILES Flexibase

11820776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-3-(oxazinan-2-yl)propanamide N-[[2-(2,6-dimethylphenoxy)-3-py…

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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)	3.09	-3.42	-10.72	1	6	0	64	369.465	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.09	-2.82	-35.48	2	6	1	65	370.473	7	↓ MOL2 SDF SMILES Flexibase

11821248

Analogs

11821249
55359058
55359063

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-(oxazinan-2-yl)-2-oxo-ethyl]-4-(3-pyridylmethyl)piperazin-2-one (3S)-3-[2-(oxazinan-2-yl)-2-oxo-…

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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)	0.67	-2.31	-41.38	2	7	1	76	319.385	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.67	-2.2	-106.92	3	7	2	77	320.393	4	↓ MOL2 SDF SMILES Flexibase

11821249

Analogs

55359058
55359063
11821248

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-(oxazinan-2-yl)-2-oxo-ethyl]-4-(3-pyridylmethyl)piperazin-2-one (3R)-3-[2-(oxazinan-2-yl)-2-oxo-…

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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)	0.67	-2.21	-42.99	2	7	1	76	319.385	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.67	-2.1	-103.68	3	7	2	77	320.393	4	↓ MOL2 SDF SMILES Flexibase

11838424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-3-(oxazinan-2-yl)propanamide N-[[1-[2-(2-fluorophenyl)ethyl]-…

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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)	3.05	0.19	-43.16	1	5	1	37	392.539	8	↓ MOL2 SDF SMILES Flexibase

11840877

Analogs

11840879

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(2,5-difluorobenzoyl)-1-piperidyl]-3-(oxazinan-2-yl)propan-1-one 1-[(3R)-3-(2,5-difluorobenzoyl)-…

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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)	2.50	0.19	-10.57	0	5	0	50	366.408	5	↓ MOL2 SDF SMILES Flexibase

11840879

Analogs

11840877

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(2,5-difluorobenzoyl)-1-piperidyl]-3-(oxazinan-2-yl)propan-1-one 1-[(3S)-3-(2,5-difluorobenzoyl)-…

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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)	2.50	8.4	-11.21	0	5	0	50	366.408	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.50	9.73	-46.18	1	5	1	51	367.416	5	↓ MOL2 SDF SMILES Flexibase

11842314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: oxazinan-2-yl-[5-[[3-(trifluoromethyl)phenoxy]methyl]isoxazol-3-yl]methanone oxazinan-2-yl-[5-[[3-(trifluorom…

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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)	3.22	3.55	-11.7	0	6	0	65	356.3	5	↓ MOL2 SDF SMILES Flexibase

11843637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: oxazinan-2-yl-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone oxazinan-2-yl-[2-(3-phenylpropyl…

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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)	4.25	-0.71	-10.5	0	5	0	56	350.418	5	↓ MOL2 SDF SMILES Flexibase

11843744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridyl]oxazinane 2-[5-[3-[(4-fluorophenyl)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)	3.58	-1	-7.98	0	6	0	64	340.358	4	↓ MOL2 SDF SMILES Flexibase

11843800

Analogs

11843801

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (5R)-1-[(3-fluorophenyl)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)	1.69	7.91	-11.09	0	5	0	50	320.364	3	↓ MOL2 SDF SMILES Flexibase

11843801

Analogs

11843800

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (5S)-1-[(3-fluorophenyl)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)	1.69	8.02	-11.31	0	5	0	50	320.364	3	↓ MOL2 SDF SMILES Flexibase

11844077

Analogs

11844078

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-methoxyphenyl)-1-(oxazinan-2-yl)-3-phenyl-propan-1-one (3S)-3-(4-methoxyphenyl)-1-(oxaz…

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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)	3.54	1.64	-8.45	0	4	0	39	325.408	5	↓ MOL2 SDF SMILES Flexibase

11844078

Analogs

11844077

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-methoxyphenyl)-1-(oxazinan-2-yl)-3-phenyl-propan-1-one (3R)-3-(4-methoxyphenyl)-1-(oxaz…

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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)	3.54	1.63	-8.31	0	4	0	39	325.408	5	↓ MOL2 SDF SMILES Flexibase

11844200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazol-3-yl]-(oxazinan-2-yl)methanone [5-[(2-methyl-1,3-benzothiazol-5…

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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)	2.48	-0.33	-15.54	0	7	0	78	359.407	4	↓ MOL2 SDF SMILES Flexibase

20235449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-(oxazinan-2-yl)propan-1-one 1-(3-cyclopentyl-1,4,6,7-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)	1.94	6.59	-13.37	1	6	0	61	332.448	4	↓ MOL2 SDF SMILES Flexibase

12005529

Analogs

12005532

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(oxazinane-2-carbonyl)-1-phenethyl-piperidin-2-one (5R)-5-(oxazinane-2-carbonyl)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.95	8.67	-9.98	0	5	0	50	316.401	4	↓ MOL2 SDF SMILES Flexibase

12005532

Analogs

12005529

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(oxazinane-2-carbonyl)-1-phenethyl-piperidin-2-one (5S)-5-(oxazinane-2-carbonyl)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.95	8.74	-9.76	0	5	0	50	316.401	4	↓ MOL2 SDF SMILES Flexibase

12021752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-hydroxy-1'-[3-(oxazinan-2-yl)propanoyl]spiro[indane-3,4'-piperidine]-1-yl]pyridine-3-ca N-[(1R,2R)-2-hydroxy-1'-[3-(oxaz…

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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)	1.10	-5.78	-14.86	2	8	0	95	464.566	5	↓ MOL2 SDF SMILES Flexibase

12028737

Analogs

12028740

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidyl]-3-(oxazinan-2-yl)propan-1-one 1-[(3R)-3-[2-(3-methoxyphenyl)et…

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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)	3.45	-1.08	-9.45	0	5	0	42	360.498	7	↓ MOL2 SDF SMILES Flexibase

12028740

Analogs

12028737

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-[2-(3-methoxyphenyl)ethyl]-1-piperidyl]-3-(oxazinan-2-yl)propan-1-one 1-[(3S)-3-[2-(3-methoxyphenyl)et…

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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)	3.45	-1.05	-9.83	0	5	0	42	360.498	7	↓ MOL2 SDF SMILES Flexibase

12030924

Analogs

12030932

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Popular Name: 3-[1-[3-(oxazinan-2-yl)propanoyl]-4-piperidyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propanamide 3-[1-[3-(oxazinan-2-yl)propanoyl…

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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	-4.96	-14.44	1	7	0	71	381.517	8	↓ MOL2 SDF SMILES Flexibase

12030932

Analogs

12030924

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Popular Name: 3-[1-[3-(oxazinan-2-yl)propanoyl]-4-piperidyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide 3-[1-[3-(oxazinan-2-yl)propanoyl…

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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	-4.87	-14.76	1	7	0	71	381.517	8	↓ MOL2 SDF SMILES Flexibase

12210643

Analogs

12210650

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Popular Name: N-[2-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]ethyl]-6-(oxazinan-2-yl)pyridine-3-carboxamide N-[2-[(2R)-2,3-dihydro-1,4-benzo…

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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)	1.75	-3.22	-14.9	1	7	0	73	369.421	5	↓ MOL2 SDF SMILES Flexibase

12210650

Analogs

12210643

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Popular Name: N-[2-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]ethyl]-6-(oxazinan-2-yl)pyridine-3-carboxamide N-[2-[(2S)-2,3-dihydro-1,4-benzo…

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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)	1.75	-3.22	-14.95	1	7	0	73	369.421	5	↓ MOL2 SDF SMILES Flexibase

55036034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-3-(oxazinan-2-yl)propanamide N-[(5-chloro-1H-benzimidazol-2-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)	1.98	6.18	-8.73	1	6	0	61	336.823	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	7	-34.9	2	6	1	63	337.831	5	↓ MOL2 SDF SMILES Flexibase

55036132

Analogs

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Popular Name: 3-(oxazinan-2-yl)-N-[(S)-p-tolyl(4-pyridyl)methyl]propanamide 3-(oxazinan-2-yl)-N-[(S)-p-tolyl…

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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	7.71	-10.32	1	5	0	54	339.439	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.42	8.17	-38.25	2	5	1	56	340.447	6	↓ MOL2 SDF SMILES Flexibase

55036134

Analogs

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Popular Name: 3-(oxazinan-2-yl)-N-[(R)-p-tolyl(4-pyridyl)methyl]propanamide 3-(oxazinan-2-yl)-N-[(R)-p-tolyl…

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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	7.69	-10.34	1	5	0	54	339.439	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.42	8.15	-36.78	2	5	1	56	340.447	6	↓ MOL2 SDF SMILES Flexibase

55036375

Analogs

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Popular Name: N-[2-[(1S)-1-cyclopropylethyl]-4-methyl-pyrazol-3-yl]-3-(oxazinan-2-yl)propanamide N-[2-[(1S)-1-cyclopropylethyl]-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)	1.96	6.93	-9.91	1	6	0	59	306.41	6	↓ MOL2 SDF SMILES Flexibase

55036376

Analogs

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Popular Name: N-[2-[(1R)-1-cyclopropylethyl]-4-methyl-pyrazol-3-yl]-3-(oxazinan-2-yl)propanamide N-[2-[(1R)-1-cyclopropylethyl]-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)	1.96	6.9	-10.05	1	6	0	59	306.41	6	↓ MOL2 SDF SMILES Flexibase

55036723

Analogs

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Popular Name: N-[(2-ethoxy-3-pyridyl)methyl]-3-(oxazinan-2-yl)propanamide N-[(2-ethoxy-3-pyridyl)methyl]-3…

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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)	0.96	2.46	-9.35	1	6	0	64	293.367	7	↓ MOL2 SDF SMILES Flexibase

55036766

Analogs

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Popular Name: N-[(1S)-1-methyl-2-pyrazin-2-yl-ethyl]-3-(oxazinan-2-yl)propanamide N-[(1S)-1-methyl-2-pyrazin-2-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)	0.75	3.47	-10.99	1	6	0	67	278.356	6	↓ MOL2 SDF SMILES Flexibase

55036768

Analogs

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Popular Name: N-[(1R)-1-methyl-2-pyrazin-2-yl-ethyl]-3-(oxazinan-2-yl)propanamide N-[(1R)-1-methyl-2-pyrazin-2-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)	0.75	2.76	-12.34	1	6	0	67	278.356	6	↓ MOL2 SDF SMILES Flexibase

55036991

Analogs

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Popular Name: N-[(8-methoxy-5-quinolyl)methyl]-N-methyl-3-(oxazinan-2-yl)propanamide N-[(8-methoxy-5-quinolyl)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)	1.99	7.14	-14.72	0	6	0	55	343.427	6	↓ MOL2 SDF SMILES Flexibase

55037116

Analogs

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Popular Name: N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(oxazinan-2-yl)propanamide N-[2-(5-isopropyl-1,2,4-oxadiazo…

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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)	1.27	4.32	-12.96	0	7	0	72	310.398	7	↓ MOL2 SDF SMILES Flexibase

55042506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(oxazinan-2-yl)propanamide N-[[2-(2-methylimidazol-1-yl)phe…

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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)	1.06	6.81	-11.72	1	6	0	59	328.416	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.06	7.28	-32.31	2	6	1	61	329.424	6	↓ MOL2 SDF SMILES Flexibase

55042515

Analogs

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Popular Name: 3-(oxazinan-2-yl)-N-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]propanamide 3-(oxazinan-2-yl)-N-[(1S)-1-phen…

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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)	1.74	7.33	-10.81	1	6	0	59	328.416	7	↓ MOL2 SDF SMILES Flexibase

55042516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(oxazinan-2-yl)-N-[(1R)-1-phenyl-2-pyrazol-1-yl-ethyl]propanamide 3-(oxazinan-2-yl)-N-[(1R)-1-phen…

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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)	1.74	6.82	-14.42	1	6	0	59	328.416	7	↓ MOL2 SDF SMILES Flexibase

55052698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-(5-methyl-1H-benzimidazol-2-yl)propyl]-3-(oxazinan-2-yl)propanamide N-[(1R)-2-methyl-1-(5-methyl-1H-…

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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)	2.81	6.53	-8	2	6	0	70	344.459	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.81	6.84	-30.85	3	6	1	71	345.467	6	↓ MOL2 SDF SMILES Flexibase

55052700

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(5-methyl-1H-benzimidazol-2-yl)propyl]-3-(oxazinan-2-yl)propanamide N-[(1S)-2-methyl-1-(5-methyl-1H-…

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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)	2.81	6.33	-10.4	2	6	0	70	344.459	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.81	6.86	-31.46	3	6	1	71	345.467	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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    window.zinc.embed('zinc-link', {
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