UCSF

ZINC23071528

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 5.01 -56.48 3 4 1 57 249.334 5
Hi High (pH 8-9.5) -0.39 4.7 -9.74 2 4 0 56 248.326 5

Activity (Go SEA)

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