UCSF

ZINC62954320

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: 4-(8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamidine 4-(8-azaspiro[4.5]decan-8-yl)pyr…

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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) 1.48 5.19 -29.88 4 4 1 68 259.377 2 ↓
Mid Mid (pH 6-8) 1.48 5.65 -97.97 5 4 2 69 260.385 2 ↓

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

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