UCSF

ZINC40771139

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 3.92 10.43 -121.89 3 2 2 21 278.484 4
Mid Mid (pH 6-8) 3.92 8.2 -39.38 2 2 1 20 277.476 4

Activity (Go SEA)

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