UCSF

ZINC13725006

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Substance Information

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

Popular Name: (5S)-4-(5-chloro-2-methoxy-benzoyl)-3-hydroxy-5-(4-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-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) 1.91 8.96 -62.92 0 7 -1 95 434.859 6 ↓
Mid Mid (pH 6-8) 2.36 6.88 -29.12 1 7 0 93 435.867 5 ↓
Mid Mid (pH 6-8) 1.33 8.07 -26.29 0 7 0 89 435.867 6 ↓
Lo Low (pH 4.5-6) 2.36 7.17 -71.66 2 7 1 94 436.875 5 ↓
Lo Low (pH 4.5-6) 1.33 8.35 -66.58 1 7 1 91 436.875 6 ↓
Lo Low (pH 4.5-6) 2.36 7.16 -49.69 2 7 1 94 436.875 5 ↓
Lo Low (pH 4.5-6) 1.33 8.35 -51.3 1 7 1 91 436.875 6 ↓
Lo Low (pH 4.5-6) 2.36 7.45 -118.43 3 7 2 95 437.883 5 ↓
Lo Low (pH 4.5-6) 1.33 8.63 -117.71 2 7 2 92 437.883 6 ↓

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