UCSF

ZINC62957285

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cyclohexanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…

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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) 3.78 9.83 -110.59 3 2 2 21 266.473 3 ↓
Hi High (pH 8-9.5) 3.78 7.86 -37.31 2 2 1 20 265.465 3 ↓
Mid Mid (pH 6-8) 3.78 8.82 -32.13 2 2 1 16 265.465 3 ↓

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

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