UCSF

ZINC34677372

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 Yes

Popular Name: N-[(4-fluorophenyl)methyl]-2-[[4-[(2S)-2-hydroxy-3-morpholino-propyl]piperazin-1-yl]methyl]oxazole-4 N-[(4-fluorophenyl)methyl]-2-[[4…

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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) 0.39 -0.39 -47.08 3 9 1 96 462.546 9 ↓
Mid Mid (pH 6-8) 0.39 1.88 -98.92 4 9 2 97 463.554 9 ↓
Mid Mid (pH 6-8) 0.39 -2.66 -10.58 2 9 0 94 461.538 9 ↓

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