UCSF

ZINC08951548

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 31 No

Popular Name: 1-(2-diethylaminoethyl)-4-(3-fluoro-4-methoxy-benzoyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one 1-(2-diethylaminoethyl)-4-(3-flu…

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Annotations

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Vendors

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) 2.02 7.73 -45.33 2 7 1 84 428.484 9 ↓
Mid Mid (pH 6-8) 1.44 8.39 -54.59 1 7 1 81 428.484 9 ↓
Lo Low (pH 4.5-6) 2.02 8.01 -105.9 3 7 2 85 429.492 9 ↓
Lo Low (pH 4.5-6) 1.44 8.66 -119.52 2 7 2 82 429.492 9 ↓

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