UCSF

ZINC34627080

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) -4.22 5.77 -122.45 1 8 -2 128 260.246 10
Lo Low (pH 4.5-6) -4.22 7.51 -84.02 2 8 -1 129 261.254 10
Lo Low (pH 4.5-6) -4.22 5.56 -98.4 1 8 -2 128 260.246 10

Activity (Go SEA)

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