UCSF

ZINC20266657

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 20 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) 0.32 6.54 -45.93 3 3 1 48 273.331 4
Mid Mid (pH 6-8) 0.32 6.2 -8.26 2 3 0 46 272.323 4

Activity (Go SEA)

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