UCSF

ZINC67956092

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 19 Yes

Popular Name: 3-[(5-ethyl-2-pyridyl)methyl]-3,8-diazaspiro[4.5]decane 3-[(5-ethyl-2-pyridyl)methyl]-3,…

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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) 1.53 7.53 -97.15 3 3 2 34 261.413 3 ↓
Hi High (pH 8-9.5) 1.53 5.04 -41.15 2 3 1 33 260.405 3 ↓

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

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