UCSF

ZINC36662962

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 Yes

Popular Name: 4-(4-chlorophenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid 4-(4-chlorophenyl)-3H,4H,5H,6H,7…

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CAS Number: 1097832-80-8

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) 0.24 7.15 -35.7 3 5 0 85 277.711 2 ↓
Hi High (pH 8-9.5) 0.24 6.1 -45.54 2 5 -1 81 276.703 2 ↓
Lo Low (pH 4.5-6) 0.24 6.55 -56.01 3 5 0 82 277.711 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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