UCSF

ZINC34677334

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 Yes

Popular Name: N-(2-fluoro-5-methyl-phenyl)-2-[[4-[(2R)-2-hydroxyhex-5-enyl]piperazin-1-yl]methyl]oxazole-4-carboxa N-(2-fluoro-5-methyl-phenyl)-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) 2.61 3.92 -44.55 3 7 1 83 417.505 9 ↓
Mid Mid (pH 6-8) 2.61 1.63 -9.85 2 7 0 82 416.497 9 ↓
Lo Low (pH 4.5-6) 2.61 3.96 -43.33 3 7 1 83 417.505 9 ↓

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