UCSF

ZINC05072463

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 19 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) 3.54 9.97 -30.4 1 3 1 22 278.807 2
Mid Mid (pH 6-8) 3.54 10.4 -94.36 2 3 2 23 279.815 2

Activity (Go SEA)

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