UCSF

ZINC08552731

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 14 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) -0.53 0.28 -13.58 4 5 0 88 193.206 2
Lo Low (pH 4.5-6) -0.53 0.02 -37.5 5 5 1 89 194.214 2
Lo Low (pH 4.5-6) -0.53 0.12 -35.77 5 5 1 89 194.214 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.