UCSF

ZINC12503291

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 26 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) -1.94 8.58 -44.92 1 5 1 59 392.522 5
Hi High (pH 8-9.5) -1.94 9.19 -69.28 0 5 0 62 391.514 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.56e-02 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0673240B1; EP0853501A1; EP0904266A1; EP1003540A1; EP1019360A1; EP1024794A1; EP1053009A2; EP1058657A1; US5676930; US5795909; US5824669; US5955058; US5964416; US6045778; WO1994013262A1; WO1997034871A1; WO1997044063A2; WO1998027959A2; WO1998056444A1; WO199 IBM Patent Data

Activity (Go SEA)

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