UCSF

ZINC13684100

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Substance Information

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

Popular Name: (5S)-4-(5-fluoro-2-methoxy-benzoyl)-3-hydroxy-1-(3-pyridylmethyl)-5-(2-thienyl)-5H-pyrrol-2-one (5S)-4-(5-fluoro-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) 2.59 8.25 -45.24 0 6 -1 83 423.445 6 ↓
Mid Mid (pH 6-8) 3.03 7.33 -31.35 1 6 0 80 424.453 5 ↓
Mid Mid (pH 6-8) 2.00 8.52 -26.45 0 6 0 77 424.453 6 ↓
Lo Low (pH 4.5-6) 2.59 8.13 -41.83 2 6 1 81 425.461 6 ↓
Lo Low (pH 4.5-6) 2.00 8.8 -50.2 1 6 1 78 425.461 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.