UCSF

ZINC39349332

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 15 No

CAS Number: 71399-45-6

Other Names:

ENONALCOHOL

MFCD00134677

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) 1.36 1.84 -10.52 2 3 0 58 212.289 7

Activity (Go SEA)

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