UCSF

ZINC17147259

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 28 No

Popular Name: 5-(4-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one 5-(4-fluorophenyl)-3-hydroxy-1-(…

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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) 3.25 8.61 -60.5 0 5 -1 70 382.411 7 ↓
Mid Mid (pH 6-8) 3.69 9.36 -12.67 1 5 0 67 383.419 6 ↓
Mid Mid (pH 6-8) 2.66 9.35 -11.52 0 5 0 64 383.419 7 ↓

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