UCSF

ZINC26936743

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 25 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) 6.92 15.62 -48.11 0 2 -1 40 337.483 12
Lo Low (pH 4.5-6) 6.92 14.5 -9.65 1 2 0 37 338.491 12

Activity (Go SEA)

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