UCSF

ZINC24699061

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 25 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) 3.88 10.88 -42.94 2 4 1 37 338.475 5
Mid Mid (pH 6-8) 3.88 8.52 -9.19 1 4 0 36 337.467 5

Activity (Go SEA)

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