UCSF

ZINC11821231

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 29 Yes

Popular Name: (5S)-9-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridylmethyl)-2,9-diazaspiro[4.5]decan-10-one (5S)-9-[(2,3-dimethoxyphenyl)met…

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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) 1.75 0.69 -35.61 1 6 1 56 396.511 6 ↓
Lo Low (pH 4.5-6) 1.75 0.75 -105.99 2 6 2 57 397.519 6 ↓

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Rings

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