UCSF

ZINC62952912

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Substance Information

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

Popular Name: (7S,8R)-7-(4-ethyl-4-methyl-1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8R)-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) 1.64 3.64 -40.77 3 4 1 49 283.436 2 ↓
Hi High (pH 8-9.5) 1.64 2.96 -2.77 2 4 0 48 282.428 2 ↓
Hi High (pH 8-9.5) 1.64 5.63 -121.3 4 4 2 51 284.444 2 ↓
Mid Mid (pH 6-8) 1.64 5.2 -30.32 3 4 1 49 283.436 2 ↓

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Rings

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

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