UCSF

ZINC62957233

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Substance Information

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

Popular Name: 1-[4-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydropyran-4-yl]-N-methyl-methanamine 1-[4-(8-azaspiro[4.5]decan-8-ylm…

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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) 2.47 7.9 -111.91 3 3 2 30 282.472 4 ↓
Mid Mid (pH 6-8) 2.47 6.94 -35.67 2 3 1 26 281.464 4 ↓
Mid Mid (pH 6-8) 2.47 6.15 -39.82 2 3 1 29 281.464 4 ↓

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

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