UCSF

ZINC00537804

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 31 No

Popular Name: Glisoxepide Glisoxepide

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CAS Number: 25046-79-1

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 2.23 -61.99 2 10 -1 140 448.525 8 ↓
Ref Reference (pH 7) 1.64 1.46 -23.1 3 10 0 137 449.533 8 ↓
Lo Low (pH 4.5-6) 0.85 4.51 -16.69 3 10 0 134 449.533 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.03e-01 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0025192A2; EP0046590A2; EP0046961A1; EP0051077A1; EP0071175A2; EP0128482A2; EP0128483A2; EP0240904A2; EP0240904B1; EP0358105A2; EP0358105B1; EP0358107A2; EP0445920A2; EP0445920A3; EP0749751A2; EP0749751A3; EP0797424A1; EP0797424B1; EP0861666A3; EP093552 IBM Patent Data

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

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