UCSF

ZINC20245065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) -0.86 -1.85 -56.1 1 7 -1 99 279.338 8
Mid Mid (pH 6-8) -0.86 0.56 -85.52 2 7 0 100 280.346 8
Mid Mid (pH 6-8) -0.86 0.15 -89.28 1 7 -1 102 279.338 8

Activity (Go SEA)

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