UCSF

ZINC20260396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 1.76 7.84 -33.77 3 2 1 30 235.395 7
Mid Mid (pH 6-8) 1.76 8.11 -125.26 4 2 2 32 236.403 7

Activity (Go SEA)

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