UCSF

ZINC62953488

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 Yes

Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-yl)cyclohexanamine (1R,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) 2.49 6.72 -28.92 3 2 1 30 237.411 1 ↓
Hi High (pH 8-9.5) 2.49 4.54 -0.54 2 2 0 29 236.403 1 ↓
Lo Low (pH 4.5-6) 2.49 7.07 -121.34 4 2 2 32 238.419 1 ↓

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

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