UCSF

ZINC34677100

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[[4-[(2S)-2-hydroxyhex-5-enyl]piperazin-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]oxazole- 2-[[4-[(2S)-2-hydroxyhex-5-enyl]…

Find On: PubMed — Wikipedia — Google

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) 2.64 4.27 -45.53 3 7 1 83 467.512 11 ↓
Mid Mid (pH 6-8) 2.64 1.98 -9.45 2 7 0 82 466.504 11 ↓
Lo Low (pH 4.5-6) 2.64 4.3 -45.12 3 7 1 83 467.512 11 ↓

Activity (Go SEA)

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