UCSF

ZINC29450062

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 31 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) 4.52 11.35 -13.56 0 6 0 50 432.959 5
Mid Mid (pH 6-8) 4.52 13.65 -45.11 1 6 1 51 433.967 5

Activity (Go SEA)

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