UCSF

ZINC62953012

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: (7R,8S)-7-(4-ethyl-4-methyl-1-piperidyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(4-ethyl-4-methyl-1-pi…

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Download: MOL2 SDF SMILES Flexibase

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) 2.55 6.52 -32.11 2 4 1 35 297.463 3 ↓
Hi High (pH 8-9.5) 2.55 4.67 -2.23 1 4 0 34 296.455 3 ↓
Lo Low (pH 4.5-6) 2.55 7.38 -112.68 3 4 2 40 298.471 3 ↓

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

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