UCSF

ZINC62953544

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: (1R,2R,4R)-2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-cyclohexanamine (1R,2R,4R)-2-(8-azaspiro[4.5]dec…

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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) 2.50 7.67 -123.49 4 2 2 32 252.446 1 ↓
Hi High (pH 8-9.5) 2.50 5.75 -39.82 3 2 1 31 251.438 1 ↓
Mid Mid (pH 6-8) 2.50 7.32 -29.35 3 2 1 30 251.438 1 ↓

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

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