UCSF

ZINC67631191

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 13 Yes

Popular Name: (3-methyl-1,5-dioxaspiro[5.5]undec-3-yl)amine (3-methyl-1,5-dioxaspiro[5.5]und…

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CAS Numbers: , 17144-64-8

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) 1.95 2.24 -44.5 3 3 1 46 186.275 0 ↓
Hi High (pH 8-9.5) 1.95 2.06 -2.26 2 3 0 44 185.267 0 ↓

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

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