UCSF

ZINC62957276

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cycloheptanamine (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) 4.29 10.44 -112.41 3 2 2 21 280.5 3 ↓
Hi High (pH 8-9.5) 4.29 8.75 -37.46 2 2 1 20 279.492 3 ↓
Mid Mid (pH 6-8) 4.29 9.05 -36.06 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.