UCSF

ZINC12404846

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 16 Yes

Popular Name: 1-(4-ethylphenyl)-1H-pyrrole-2-carboxylic acid 1-(4-ethylphenyl)-1H-pyrrole-2-c…

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CAS Number: 896053-31-9

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) 2.92 2.32 -53.18 0 3 -1 45 214.244 3 ↓

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