UCSF

ZINC19259065

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 15 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) 0.77 4.08 -50.56 2 4 1 40 212.317 0
Mid Mid (pH 6-8) 0.77 2.7 -7.73 1 4 0 36 211.309 0

Activity (Go SEA)

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