UCSF

ZINC00088174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 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) 3.77 11.99 -49.56 1 3 1 25 343.878 5
Mid Mid (pH 6-8) 3.77 9.79 -9.38 0 3 0 24 342.87 5

Activity (Go SEA)

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