UCSF

ZINC08681609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2007 24 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) -3.21 0.72 -95.14 10 9 1 181 338.388 10
Mid Mid (pH 6-8) -3.21 0.44 -71.75 9 9 0 179 337.38 10

Activity (Go SEA)

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