UCSF

ZINC06507037

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 13 Yes

Popular Name: 1H-INDAZOLE-3-CARBOXYLIC ACID METHYL ESTER 1H-INDAZOLE-3-CARBOXYLIC ACID ME…

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CAS Numbers: , 43120-28-1 , 863637-26-7 , [43120-28-1]

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) 1.70 3.84 -8.8 1 4 0 55 176.175 2 ↓
Ref Reference (pH 7) 1.70 3.81 -7.42 1 4 0 55 176.175 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 159 - 161 Enamine Building Blocks
MP 159...161 Enamine Building Blocks
MP 166 - 168 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0912555A1; EP0939757A1; US5137895; WO1997023480A1; WO1997049699A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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