UCSF

ZINC51889556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 15 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) 0.15 -0.34 -50.2 2 4 1 54 233.357 3
Lo Low (pH 4.5-6) 0.15 1.82 -122.84 3 4 2 55 234.365 3

Activity (Go SEA)

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