UCSF

ZINC13691542

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: (5R)-4-(5-chloro-2-methoxy-benzoyl)-3-hydroxy-5-(3-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (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) 1.97 8.31 -66.82 0 7 -1 95 434.859 6 ↓
Mid Mid (pH 6-8) 2.41 7.65 -33.44 1 7 0 93 435.867 5 ↓
Mid Mid (pH 6-8) 1.38 8.86 -25.78 0 7 0 89 435.867 6 ↓
Lo Low (pH 4.5-6) 2.41 7.94 -69.84 2 7 1 94 436.875 5 ↓
Lo Low (pH 4.5-6) 1.38 9.15 -62.22 1 7 1 91 436.875 6 ↓
Lo Low (pH 4.5-6) 2.41 7.93 -55.54 2 7 1 94 436.875 5 ↓
Lo Low (pH 4.5-6) 1.38 9.14 -57.16 1 7 1 91 436.875 6 ↓
Lo Low (pH 4.5-6) 2.41 8.22 -107.3 3 7 2 95 437.883 5 ↓
Lo Low (pH 4.5-6) 1.38 9.43 -108.71 2 7 2 92 437.883 6 ↓

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