UCSF

ZINC02576060

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 1-(propan-2-yl)-1H-1,3-benzodiazole-5-carboxylic acid 1-(propan-2-yl)-1H-1,3-benzodiaz…

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CAS Number: 284673-16-1

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) 2.12 0.84 -56.51 0 4 -1 58 203.221 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 216 - 218 Enamine Building Blocks
MP 216...218 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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