UCSF

ZINC59110561

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 36 No

Popular Name: N-[(3E)-3-[(5S)-1,5-diisopentyl-5-methyl-2,4-dioxo-3-piperidylidene]-1,1-dioxo-4H-benzo[e][1,2,4]thi N-[(3E)-3-[(5S)-1,5-diisopentyl-…

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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) 2.97 5.19 -54.88 1 10 -1 144 539.7 9 ↓
Hi High (pH 8-9.5) 3.55 5.19 -217.05 0 10 -3 152 537.684 9 ↓
Mid Mid (pH 6-8) 2.97 4.71 -50.02 1 10 -1 144 539.7 9 ↓
Mid Mid (pH 6-8) 2.97 4.88 -116.32 0 10 -2 146 538.692 9 ↓
Mid Mid (pH 6-8) 3.55 5.54 -109 1 10 -2 150 538.692 9 ↓
Lo Low (pH 4.5-6) 2.97 5.16 -25.96 2 10 0 142 540.708 9 ↓

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

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