UCSF

ZINC00062274

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Substance Information

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

Popular Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 4-acetyl-3,5-dimethyl-1H-pyrrole…

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CAS Numbers: 2386-25-7 , 2386-28-9 , 2386-29-0 , 2386-33-6 , [2386-28-9] , [2386-29-0]

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) 1.09 4.52 -48.76 1 4 -1 73 180.183 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 135° Matrix Scientific
MP 205 - 207 Enamine Building Blocks
MP 205...207 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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