UCSF

ZINC23070373

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 18 Yes

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) -0.39 4.85 -53.91 3 4 1 57 249.334 4
Hi High (pH 8-9.5) -0.39 4.6 -11.07 2 4 0 56 248.326 4

Activity (Go SEA)

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