UCSF

ZINC40237267

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 20 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) 5.05 9.28 -43.92 2 2 1 26 353.305 5
Mid Mid (pH 6-8) 5.05 8.04 -6.04 1 2 0 21 352.297 5

Activity (Go SEA)

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