UCSF

ZINC62320229

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 19 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) -0.92 1.94 -90.38 5 6 2 82 265.361 5
Hi High (pH 8-9.5) -0.92 1.68 -11.76 3 6 0 76 263.345 5
Hi High (pH 8-9.5) -0.92 2.15 -35.46 4 6 1 77 264.353 5

Activity (Go SEA)

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

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