UCSF

ZINC39099652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 Yes

CAS Number: 157231-33-9

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) 1.88 1.62 -9.92 2 4 0 59 209.245 3

Activity (Go SEA)

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