UCSF

ZINC16732545

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-(4-pyridylmethyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-5-(4-…

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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) 4.89 12.92 -58.85 0 6 -1 83 481.572 9 ↓
Mid Mid (pH 6-8) 5.34 11.81 -28.13 1 6 0 80 482.58 8 ↓
Mid Mid (pH 6-8) 4.31 12.84 -20.04 0 6 0 77 482.58 9 ↓
Lo Low (pH 4.5-6) 5.34 12.09 -59.72 2 6 1 81 483.588 8 ↓
Lo Low (pH 4.5-6) 4.31 13.12 -60.29 1 6 1 78 483.588 9 ↓

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