UCSF

ZINC43424805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.77 1.58 -9.9 4 6 0 94 276.34 2
Lo Low (pH 4.5-6) 0.77 2.06 -35.25 5 6 1 96 277.348 2

Activity (Go SEA)

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