UCSF

ZINC43396886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.97 7.65 -42.9 4 4 1 55 293.46 5
Lo Low (pH 4.5-6) 1.97 7.95 -102.14 5 4 2 57 294.468 5

Activity (Go SEA)

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