UCSF

ZINC04990709

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 18 Yes

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) -0.73 0.12 -47.45 3 5 1 72 254.306 7

Activity (Go SEA)

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