UCSF

ZINC20967876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 21 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) 3.96 9.68 -110.69 3 3 2 30 357.336 8
Mid Mid (pH 6-8) 3.96 8.45 -33.25 2 3 1 26 356.328 8

Activity (Go SEA)

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