UCSF

ZINC12230457

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 26 Yes

Popular Name: 4-acetyl-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide 4-acetyl-N-[(S)-(2-methoxyphenyl…

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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) 1.46 -0.37 -23.69 2 7 0 89 352.394 6 ↓
Mid Mid (pH 6-8) 1.46 6.83 -44.83 3 7 1 90 353.402 6 ↓

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