UCSF

ZINC59110566

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 38 No

Popular Name: N-[(3E)-3-[(6S)-1-[(4-fluorophenyl)methyl]-6-isopentyl-2,4-dioxo-3-piperidylidene]-1,1-dioxo-4H-benz N-[(3E)-3-[(6S)-1-[(4-fluorophen…

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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) 3.10 6.21 -109.51 1 10 -2 150 562.645 8 ↓
Hi High (pH 8-9.5) 3.10 5.93 -217.2 0 10 -3 152 561.637 8 ↓
Mid Mid (pH 6-8) 2.52 5.72 -51.8 1 10 -1 144 563.653 8 ↓
Lo Low (pH 4.5-6) 3.10 6.16 -55.09 2 10 -1 148 563.653 8 ↓
Lo Low (pH 4.5-6) 2.52 5.29 -47.09 1 10 -1 144 563.653 8 ↓

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

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