UCSF

ZINC53683219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 23 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) -4.45 -16.17 -13.85 8 11 0 190 342.297 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.86e+02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0000991A1; EP0002473A1; EP0002588A1; EP0007100A2; EP0007102A2; EP0007159A1; EP0007474A1; EP0009552A2; EP0011767A1; EP0014011A1; EP0015691A2; EP0017397A1; EP0024738A2; EP0025713A1; EP0026561A2; EP0029196A1; EP0031005A1; EP0032263A1; EP0032409A2; EP003400 IBM Patent Data

Activity (Go SEA)

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

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