UCSF

ZINC13691298

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 No

Popular Name: (5R)-1-(3-dimethylaminopropyl)-4-(5-fluoro-2-methoxy-benzoyl)-3-hydroxy-5-(2-pyridyl)-5H-pyrrol-2-on (5R)-1-(3-dimethylaminopropyl)-4…

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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) 1.66 9.51 -78.71 1 7 0 87 413.449 8 ↓
Mid Mid (pH 6-8) 2.10 8.16 -58.76 2 7 1 84 414.457 7 ↓
Mid Mid (pH 6-8) 1.07 9.36 -57.3 1 7 1 81 414.457 8 ↓
Lo Low (pH 4.5-6) 1.66 9.39 -97.36 3 7 2 85 415.465 8 ↓
Lo Low (pH 4.5-6) 1.07 10.07 -110.31 2 7 2 82 415.465 8 ↓

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