UCSF

ZINC41675818

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.92 7.16 -76.31 3 3 2 31 209.337 6
Mid Mid (pH 6-8) 1.92 6.68 -38.17 2 3 1 29 208.329 6

Activity (Go SEA)

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