UCSF

ZINC03954528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 11 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) -1.64 -9.66 -7.05 4 5 0 90 164.157 0

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 8.27e+02 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0000991A1; EP0001720A2; EP0002893A1; EP0004913A1; EP0005733A1; EP0009232A1; EP0009715A1; EP0010964A1; EP0011235A1; EP0012552A1; EP0014756A1; EP0015691A2; EP0017246A1; EP0018731A1; EP0019072A1; EP0019247A1; EP0021838A1; EP0023397A1; EP0026485A2; EP002656 IBM Patent Data

Activity (Go SEA)

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