UCSF

ZINC56874871

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 23 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) -4.82 -14.46 -189.01 13 10 3 191 340.397 4
Hi High (pH 8-9.5) -4.82 -14.51 -36.38 11 10 1 188 338.381 4
Hi High (pH 8-9.5) -4.82 -15.67 -44.54 11 10 1 185 338.381 4
Mid Mid (pH 6-8) -4.82 -14.84 -98.28 12 10 2 190 339.389 4

Activity (Go SEA)

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

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