UCSF

ZINC67740958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-9-azaspiro[5.5]undecan-3-amine N-[(8-methylimidazo[1,2-a]pyridi…

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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) 2.34 8.79 -102.77 4 4 2 51 314.477 3 ↓
Hi High (pH 8-9.5) 2.34 7.61 -45.26 3 4 1 46 313.469 3 ↓
Lo Low (pH 4.5-6) 2.34 9.29 -170.57 5 4 3 52 315.485 3 ↓

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Rings

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

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