UCSF

ZINC53684133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 37 No

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) -5.08 -9.96 -219.62 6 20 -3 323 577.261 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.81e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0211288A2; EP0211288B1; EP0266578A2; EP0266578B1; EP0323952A1; EP0323952B1; EP0326544B1; EP0380470B1; EP0410326A3; EP0410326B1; EP0505357A1; EP0505357B1; EP0511690A2; EP0511690B1; EP0652749A1; EP0720598B1; EP0765939A2; EP0765939A3; EP0768895A1; EP077006 IBM Patent Data

Activity (Go SEA)

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

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