UCSF

ZINC67934951

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 28 Yes

Popular Name: 5-methyl-9-[[2-(2-phenylethynyl)phenyl]methyl]-2,5,9-triazaspiro[5.5]undecan-1-one 5-methyl-9-[[2-(2-phenylethynyl)…

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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) 2.58 9.53 -28.49 2 4 1 37 374.508 2 ↓
Hi High (pH 8-9.5) 2.58 7.26 -9.41 1 4 0 36 373.5 2 ↓

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

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