UCSF

ZINC67741909

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 2,1-benzoxazol-3-yl-[(3S)-3-(3-pyridylmethoxy)-1-piperidyl]methanone 2,1-benzoxazol-3-yl-[(3S)-3-(3-p…

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Download: MOL2 SDF SMILES Flexibase

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 7.17 -10.68 0 6 0 68 337.379 4 ↓
Lo Low (pH 4.5-6) 2.14 7.64 -38.63 1 6 1 70 338.387 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.