UCSF

ZINC57991812

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 No

Popular Name: 4-[[(5S)-9-benzyl-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile 4-[[(5S)-9-benzyl-2,4-dioxo-1,3,…

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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) 2.22 8.04 -8.59 1 6 0 76 374.444 4 ↓
Mid Mid (pH 6-8) 2.22 10.46 -49.49 2 6 1 78 375.452 4 ↓

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

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