UCSF

ZINC62957277

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Substance Information

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

Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cycloheptanamine (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) 4.29 10.54 -113.56 3 2 2 21 280.5 3 ↓
Hi High (pH 8-9.5) 4.29 8.81 -37.75 2 2 1 20 279.492 3 ↓
Mid Mid (pH 6-8) 4.29 9.84 -32.29 2 2 1 16 279.492 3 ↓

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

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