UCSF

ZINC43328141

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 26 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) 7.72 14.11 -45.88 0 3 -1 57 355.498 12
Lo Low (pH 4.5-6) 7.72 13.3 -5.99 1 3 0 54 356.506 12

Activity (Go SEA)

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