UCSF

ZINC25083025

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 26 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) 0.63 1.51 -37.93 3 8 0 104 356.382 5
Lo Low (pH 4.5-6) 0.63 3.77 -70.38 4 8 1 105 357.39 5

Activity (Go SEA)

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