UCSF

ZINC40772329

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 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) 0.44 5.09 -41.24 2 5 1 54 268.381 5
Lo Low (pH 4.5-6) 0.44 6.37 -129.57 3 5 2 58 269.389 5

Activity (Go SEA)

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