UCSF

ZINC37792925

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.60 1.79 -53.67 3 6 -1 112 249.246 6
Lo Low (pH 4.5-6) -0.60 -0.19 -15.51 4 6 0 109 250.254 6

Activity (Go SEA)

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