UCSF

ZINC67982556

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 27 Yes

Popular Name: 2-allyl-4-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methyl]-6-ethoxy-phenol 2-allyl-4-[(1,9-dimethyl-1,4,9-t…

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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) 2.82 6.76 -39.52 2 5 1 40 374.549 6 ↓
Lo Low (pH 4.5-6) 2.82 8.62 -105.39 3 5 2 42 375.557 6 ↓

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Rings

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

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