UCSF

ZINC45319857

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 30 No

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) 5.02 15.2 -13.79 1 5 0 56 419.912 7
Mid Mid (pH 6-8) 5.02 15.5 -25.7 2 5 1 57 420.92 7

Activity (Go SEA)

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