UCSF

ZINC34678373

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Substance Information

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

Popular Name: N-methyl-N-propyl-2-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]oxazole-4-carboxami N-methyl-N-propyl-2-[[4-[[2-(tri…

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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) 2.96 8.25 -40.52 1 6 1 54 425.475 8 ↓
Mid Mid (pH 6-8) 2.96 9.25 -46.57 1 6 1 54 425.475 8 ↓
Mid Mid (pH 6-8) 2.96 6.96 -9.6 0 6 0 53 424.467 8 ↓

Activity (Go SEA)

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