UCSF

ZINC56874861

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 24 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) -4.11 -6.83 -287.83 13 9 4 168 352.476 5
Hi High (pH 8-9.5) -4.11 -8.23 -108.2 11 9 2 161 350.46 5
Hi High (pH 8-9.5) -4.11 -8.63 -41.73 10 9 1 160 349.452 5
Mid Mid (pH 6-8) -4.11 -6.35 -174.83 12 9 3 166 351.468 5
Mid Mid (pH 6-8) -4.11 -8.14 -188.84 12 9 3 163 351.468 5

Activity (Go SEA)

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

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