UCSF

ZINC00071469

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 Yes

Popular Name: methyl 1H-1,2,3-benzotriazole-5-carboxylate methyl 1H-1,2,3-benzotriazole-5-…

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CAS Numbers: 113053-50-2 , [113053-50-2]

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) 1.44 2.4 -8.04 1 5 0 68 177.163 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0231244A1; EP0335319A2; EP0335319B1; EP0393720A2; EP0393720B1; EP0395069A2; EP0395069B1; EP0398285A2; EP0398285B1; EP0420005B1; EP0436027A1; EP0436027B1; EP0442323B1; US4649096; US4737442; US5006444; US5073574; US5085971; US5116717; US5124231; US5132201 IBM Patent Data

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

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