UCSF

ZINC67629754

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 31 Yes

Popular Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[2-methyl-6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]ethanone 2-(1,2-benzoxazol-3-yl)-1-[4-[2-…

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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) 2.73 11.72 -21.91 0 8 0 79 420.517 4 ↓
Lo Low (pH 4.5-6) 2.73 12.04 -45.32 1 8 1 80 421.525 4 ↓

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

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