UCSF

ZINC69802449

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N,N'-dimethyl-ethane-1,2-diamine N'-[[(3S)-1,4-dioxaspiro[4.4]non…

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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) 1.40 2.78 -38.75 2 4 1 38 229.344 5 ↓
Hi High (pH 8-9.5) 1.40 1.33 -3.68 1 4 0 34 228.336 5 ↓
Lo Low (pH 4.5-6) 1.40 5.1 -110.1 3 4 2 40 230.352 5 ↓

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

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