UCSF

ZINC55386475

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 25 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) 2.54 7.87 -11.98 0 5 0 46 357.841 5
Lo Low (pH 4.5-6) 2.54 8.34 -44.07 1 5 1 47 358.849 5

Activity (Go SEA)

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