UCSF

ZINC26947609

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) 5.31 13.79 -53.2 0 3 -1 57 357.495 11
Lo Low (pH 4.5-6) 5.31 12.67 -13.89 1 3 0 54 358.503 11

Activity (Go SEA)

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