UCSF

ZINC38576364

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 Yes

Popular Name: 2-[[3-[(3R,5S)-1-isopentyl-5-isopropyl-5-methyl-2,4-dioxo-pyrrolidin-3-yl]-1,1-dioxo-4H-benzo[e][1,2 2-[[3-[(3R,5S)-1-isopentyl-5-iso…

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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) 1.54 4.39 -34.42 2 10 0 150 477.563 8 ↓
Hi High (pH 8-9.5) 2.12 3.59 -133.75 2 10 -2 156 476.555 8 ↓
Mid Mid (pH 6-8) 2.12 4.01 -61.52 3 10 -1 154 477.563 8 ↓
Mid Mid (pH 6-8) 1.54 4.79 -33.76 3 10 0 148 478.571 8 ↓

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