UCSF

ZINC67726145

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: [3-[3-(dimethylamino)propyl-methyl-amino]-9-azaspiro[5.5]undecan-9-yl]-pyrrolidin-1-yl-methanone [3-[3-(dimethylamino)propyl-meth…

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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) 2.38 11.14 -116.37 2 5 2 32 366.594 5 ↓
Hi High (pH 8-9.5) 2.38 8.86 -43.43 1 5 1 31 365.586 5 ↓
Mid Mid (pH 6-8) 2.38 8.67 -49.76 1 5 1 31 365.586 5 ↓

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

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