UCSF

ZINC04722414

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 26 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) -0.66 -0.04 -113.4 4 10 -2 163 356.294 5
Lo Low (pH 4.5-6) -0.66 -0.79 -77.81 5 10 -1 160 357.302 5

Activity (Go SEA)

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