UCSF

ZINC06920375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 24 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) 8.96 16.57 -45.11 0 2 -1 40 337.568 19
Lo Low (pH 4.5-6) 8.96 15.45 -6.62 1 2 0 37 338.576 19

Activity (Go SEA)

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