UCSF

ZINC51318510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 35 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 9.99 -12.87 2 8 0 91 476.577 8
Mid Mid (pH 6-8) 3.96 12.02 -51.14 3 8 1 92 477.585 8

Activity (Go SEA)

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