UCSF

ZINC20266661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 1.69 5.86 -44.96 3 3 1 48 253.341 5
Mid Mid (pH 6-8) 1.69 5.52 -8.65 2 3 0 46 252.333 5

Activity (Go SEA)

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