ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

48633606

Analogs

44648178

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-isobutyl-oxamide N'-(2-cyclopropyl-1,3-benzoxazol…

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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)	1.70	2.62	-8.48	2	6	0	84	301.346	5	↓ MOL2 SDF SMILES Flexibase

36971665

Analogs

37786168
37786169

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-3-methoxy-1,3-dimethyl-butyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-3-methoxy-…

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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)	4.21	5.57	-8.71	1	4	0	47	288.391	6	↓ MOL2 SDF SMILES Flexibase

36971667

Analogs

37786168
37786169

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-3-methoxy-1,3-dimethyl-butyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-3-methoxy-…

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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)	4.21	5.49	-8.65	1	4	0	47	288.391	6	↓ MOL2 SDF SMILES Flexibase

36971669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(2R)-2-methylpentyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(2R)-2-methylpe…

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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)	4.33	6.2	-7.65	1	3	0	38	258.365	6	↓ MOL2 SDF SMILES Flexibase

36971671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(2S)-2-methylpentyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(2S)-2-methylpe…

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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)	4.33	6.2	-7.66	1	3	0	38	258.365	6	↓ MOL2 SDF SMILES Flexibase

36971673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1-methylhexyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1-methylhe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.60	7.24	-7.68	1	3	0	38	272.392	7	↓ MOL2 SDF SMILES Flexibase

36971675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-1-methylhexyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1-methylhe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.60	7.24	-7.68	1	3	0	38	272.392	7	↓ MOL2 SDF SMILES Flexibase

36971677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-pentyl-1,3-benzoxazol-5-amine 2-cyclopropyl-N-pentyl-1,3-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)	4.09	5.63	-7.8	1	3	0	38	244.338	6	↓ MOL2 SDF SMILES Flexibase

36971679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R,2R)-1,2-dimethylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R,2R)-1,2-dim…

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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)	4.77	6.06	-7.51	1	3	0	38	258.365	5	↓ MOL2 SDF SMILES Flexibase

36971681

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R,2S)-1,2-dimethylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R,2S)-1,2-dim…

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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)	4.77	5.83	-7.52	1	3	0	38	258.365	5	↓ MOL2 SDF SMILES Flexibase

36971683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S,2R)-1,2-dimethylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S,2R)-1,2-dim…

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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)	4.77	5.87	-7.55	1	3	0	38	258.365	5	↓ MOL2 SDF SMILES Flexibase

36971685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S,2S)-1,2-dimethylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S,2S)-1,2-dim…

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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)	4.77	6.06	-7.52	1	3	0	38	258.365	5	↓ MOL2 SDF SMILES Flexibase

36971699

Analogs

37786142

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-(3-methylsulfanylpropyl)-1,3-benzoxazol-5-amine 2-cyclopropyl-N-(3-methylsulfany…

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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)	2.95	5.3	-9.65	1	3	0	38	262.378	6	↓ MOL2 SDF SMILES Flexibase

36971701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(2R)-2-methylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(2R)-2-methylbu…

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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)	3.78	5.44	-7.67	1	3	0	38	244.338	5	↓ MOL2 SDF SMILES Flexibase

36971703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(2S)-2-methylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(2S)-2-methylbu…

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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)	3.78	5.45	-7.65	1	3	0	38	244.338	5	↓ MOL2 SDF SMILES Flexibase

36971709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-hexyl-1,3-benzoxazol-5-amine 2-cyclopropyl-N-hexyl-1,3-benzox…

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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)	4.60	6.41	-7.82	1	3	0	38	258.365	7	↓ MOL2 SDF SMILES Flexibase

36971782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-isobutyl-1,3-benzoxazol-5-amine 2-cyclopropyl-N-isobutyl-1,3-ben…

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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)	3.27	4.79	-7.66	1	3	0	38	230.311	4	↓ MOL2 SDF SMILES Flexibase

36971792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-(2-ethylbutyl)-1,3-benzoxazol-5-amine 2-cyclopropyl-N-(2-ethylbutyl)-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)	4.28	6.1	-7.55	1	3	0	38	258.365	6	↓ MOL2 SDF SMILES Flexibase

36971798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-isopentyl-1,3-benzoxazol-5-amine 2-cyclopropyl-N-isopentyl-1,3-be…

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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)	3.80	5.36	-7.71	1	3	0	38	244.338	5	↓ MOL2 SDF SMILES Flexibase

36971808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1,4-dimethylpentyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1,4-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)	5.07	6.96	-7.72	1	3	0	38	272.392	6	↓ MOL2 SDF SMILES Flexibase

36971811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-1,4-dimethylpentyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1,4-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)	5.07	6.97	-7.71	1	3	0	38	272.392	6	↓ MOL2 SDF SMILES Flexibase

36971830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1-methylheptyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1-methylhe…

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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)	6.10	8.02	-7.73	1	3	0	38	286.419	8	↓ MOL2 SDF SMILES Flexibase

36971832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-1-methylheptyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1-methylhe…

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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)	6.10	8.02	-7.71	1	3	0	38	286.419	8	↓ MOL2 SDF SMILES Flexibase

36971836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R,3R)-1-ethyl-3-methyl-pentyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R,3R)-1-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)	5.58	7.42	-7.64	1	3	0	38	286.419	7	↓ MOL2 SDF SMILES Flexibase

36971838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R,3S)-1-ethyl-3-methyl-pentyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R,3S)-1-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)	5.58	7.52	-7.58	1	3	0	38	286.419	7	↓ MOL2 SDF SMILES Flexibase

36971840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S,3R)-1-ethyl-3-methyl-pentyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S,3R)-1-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)	5.58	7.2	-7.71	1	3	0	38	286.419	7	↓ MOL2 SDF SMILES Flexibase

36971842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S,3S)-1-ethyl-3-methyl-pentyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S,3S)-1-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)	5.58	7.2	-7.66	1	3	0	38	286.419	7	↓ MOL2 SDF SMILES Flexibase

36971844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1-methylpropyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1-methylpr…

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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)	4.03	4.9	-7.73	1	3	0	38	230.311	4	↓ MOL2 SDF SMILES Flexibase

36971846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-1-methylpropyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1-methylpr…

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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)	4.03	4.91	-7.73	1	3	0	38	230.311	4	↓ MOL2 SDF SMILES Flexibase

36971848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-(1-propylbutyl)-1,3-benzoxazol-5-amine 2-cyclopropyl-N-(1-propylbutyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.68	6.77	-7.73	1	3	0	38	272.392	7	↓ MOL2 SDF SMILES Flexibase

36971851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1-methylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1-methylbu…

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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)	4.59	5.68	-7.71	1	3	0	38	244.338	5	↓ MOL2 SDF SMILES Flexibase

36971853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-1-methylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1-methylbu…

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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)	4.59	5.68	-7.72	1	3	0	38	244.338	5	↓ MOL2 SDF SMILES Flexibase

36971861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1,2-dimethylpropyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1,2-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)	4.27	5.19	-7.54	1	3	0	38	244.338	4	↓ MOL2 SDF SMILES Flexibase

36971863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-1,2-dimethylpropyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1,2-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)	4.27	5.42	-7.53	1	3	0	38	244.338	4	↓ MOL2 SDF SMILES Flexibase

36971865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1,3-dimethylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1,3-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)	4.80	6.23	-7.65	1	3	0	38	258.365	5	↓ MOL2 SDF SMILES Flexibase

36971867

Analogs

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Popular Name: 2-cyclopropyl-N-[(1S)-1,3-dimethylbutyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1,3-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)	4.80	6.21	-7.62	1	3	0	38	258.365	5	↓ MOL2 SDF SMILES Flexibase

36971882

Analogs

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Popular Name: 2-cyclopropyl-N-(1-ethylpropyl)-1,3-benzoxazol-5-amine 2-cyclopropyl-N-(1-ethylpropyl)-…

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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)	4.56	5.26	-7.79	1	3	0	38	244.338	5	↓ MOL2 SDF SMILES Flexibase

36971907

Analogs

37785989

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-isopropyl-1,3-benzoxazol-5-amine 2-cyclopropyl-N-isopropyl-1,3-be…

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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)	3.49	4.02	-7.89	1	3	0	38	216.284	3	↓ MOL2 SDF SMILES Flexibase

36971931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-cyclopropyl-1,3-benzoxazol-5-amine N-butyl-2-cyclopropyl-1,3-benzox…

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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)	3.59	4.85	-7.85	1	3	0	38	230.311	5	↓ MOL2 SDF SMILES Flexibase

36971933

Analogs

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Popular Name: 2-cyclopropyl-N-ethyl-1,3-benzoxazol-5-amine 2-cyclopropyl-N-ethyl-1,3-benzox…

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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)	2.53	3.32	-8.1	1	3	0	38	202.257	3	↓ MOL2 SDF SMILES Flexibase

36971935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-propyl-1,3-benzoxazol-5-amine 2-cyclopropyl-N-propyl-1,3-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)	3.03	4.08	-7.82	1	3	0	38	216.284	4	↓ MOL2 SDF SMILES Flexibase

54713290

Analogs

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Popular Name: (2R)-3-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-propanamide (2R)-3-chloro-N-(2-cyclopropyl-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)	2.82	4.63	-9.51	1	4	0	55	278.739	4	↓ MOL2 SDF SMILES Flexibase

54713291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-chloro-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-propanamide (2S)-3-chloro-N-(2-cyclopropyl-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)	2.82	4.65	-9.61	1	4	0	55	278.739	4	↓ MOL2 SDF SMILES Flexibase

57734398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(2-cyclopropyl-1,3-benzoxazol-5-yl)-N-(5-methoxypentyl)oxamide N'-(2-cyclopropyl-1,3-benzoxazol…

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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)	1.61	2.49	-10.33	2	7	0	93	345.399	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	1.67	-47.35	1	7	-1	100	344.391	9	↓ MOL2 SDF SMILES Flexibase

61291139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(ethylamino)propanamide N-(2-cyclopropyl-1,3-benzoxazol-…

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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	3.51	-49.62	3	5	1	72	274.344	6	↓ MOL2 SDF SMILES Flexibase

61291140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(ethylamino)-2-methyl-propanamide N-(2-cyclopropyl-1,3-benzoxazol-…

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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	3.93	-47.5	3	5	1	72	288.371	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.44	2.7	-9.7	2	5	0	67	287.363	5	↓ MOL2 SDF SMILES Flexibase

61300795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-2-(methylamino)propanamide N-(2-cyclopropyl-1,3-benzoxazol-…

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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)	2.07	3.11	-49.55	3	5	1	72	274.344	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	1.87	-8.51	2	5	0	67	273.336	4	↓ MOL2 SDF SMILES Flexibase

61489241

Analogs

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Popular Name: (2S)-2-bromo-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)butanamide (2S)-2-bromo-N-(2-cyclopropyl-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)	3.07	4.72	-9.75	1	4	0	55	323.19	4	↓ MOL2 SDF SMILES Flexibase

61489242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)butanamide (2R)-2-bromo-N-(2-cyclopropyl-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)	3.07	4.72	-10.13	1	4	0	55	323.19	4	↓ MOL2 SDF SMILES Flexibase

62796762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-methyl-1,3-benzoxazol-5-amine 2-cyclopropyl-N-methyl-1,3-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)	2.15	2.51	-8.55	1	3	0	38	188.23	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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