UCSF

ZINC15785530

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 22 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) 1.84 6.63 -12.91 2 5 0 71 292.342 3
Mid Mid (pH 6-8) 1.84 6.69 -12.55 2 5 0 71 292.342 3

Activity (Go SEA)

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