UCSF

ZINC34638690

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 13 Yes

Popular Name: (2S)-2-methyl-1-phenyl-pentan-3-one (2S)-2-methyl-1-phenyl-pentan-3-one

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) 2.91 7.87 -5.2 0 1 0 17 176.259 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000015634A2 IBM Patent Data

Activity (Go SEA)

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