UCSF

ZINC57510814

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 30 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) 4.26 10.46 -20.04 2 10 0 149 403.354 5
Lo Low (pH 4.5-6) 4.26 10.9 -35.36 3 10 1 151 404.362 5

Activity (Go SEA)

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