UCSF

ZINC25082531

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 34 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) 0.37 7.45 -20.68 0 11 0 117 470.53 6
Lo Low (pH 4.5-6) 0.37 9.72 -55.48 1 11 1 118 471.538 6

Activity (Go SEA)

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