UCSF

ZINC62954322

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Substance Information

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

Popular Name: 2-(8-azaspiro[4.5]decan-8-yl)-6-methyl-pyridine-3-carboxamidine 2-(8-azaspiro[4.5]decan-8-yl)-6-…

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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) 1.42 6.76 -35.28 4 4 1 68 273.404 2 ↓
Hi High (pH 8-9.5) 1.42 7.77 -6.06 3 4 0 66 272.396 2 ↓
Lo Low (pH 4.5-6) 1.42 7.19 -91.71 5 4 2 69 274.412 2 ↓

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

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