UCSF

ZINC20485572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 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) 1.65 7.18 -44.57 3 3 1 48 263.405 8
Mid Mid (pH 6-8) 1.65 6.84 -9.25 2 3 0 46 262.397 8

Activity (Go SEA)

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