UCSF

ZINC20122338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 Yes

Popular Name: (1S)-N'-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-furyl)-N,N-dimethyl-ethane-1,2-diamine (1S)-N'-(1,4-dioxaspiro[4.5]deca…

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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) 1.77 4.65 -41.4 2 5 1 51 295.403 5 ↓
Mid Mid (pH 6-8) 1.77 6.87 -126.86 3 5 2 53 296.411 5 ↓
Mid Mid (pH 6-8) 1.77 5.51 -34.07 2 5 1 48 295.403 5 ↓

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

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