UCSF

ZINC38138765

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 32 No

Popular Name: 2-[4-[[(1E)-3-butyl-1-(cyanomethylene)-2,4-diazaspiro[4.4]non-2-en-4-yl]methyl]phenyl]benzoic 2-[4-[[(1E)-3-butyl-1-(cyanometh…

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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) 6.67 15.48 -66.26 1 5 0 81 427.548 7 ↓
Hi High (pH 8-9.5) 5.85 15.49 -53.1 1 5 -1 79 426.54 6 ↓

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

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