UCSF

ZINC13729820

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Substance Information

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

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

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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) 2.17 9.95 -78.85 1 7 0 87 429.904 8 ↓
Mid Mid (pH 6-8) 2.62 8.6 -58.37 2 7 1 84 430.912 7 ↓
Mid Mid (pH 6-8) 1.59 9.8 -57.06 1 7 1 81 430.912 8 ↓
Lo Low (pH 4.5-6) 2.17 9.83 -97 3 7 2 85 431.92 8 ↓
Lo Low (pH 4.5-6) 1.59 10.51 -109.81 2 7 2 82 431.92 8 ↓

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