UCSF

ZINC00050099

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 13 Yes

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

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CAS Numbers: 2386-33-6 , [2386-33-6]

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 3.56 -52.04 1 4 -1 73 180.183 2 ↓

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