UCSF

ZINC40379008

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 22 No

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) -0.13 6.7 -35.55 1 4 1 43 292.314 0
Hi High (pH 8-9.5) -0.13 7.46 -40.31 0 4 0 45 291.306 0

Activity (Go SEA)

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