UCSF

ZINC43978788

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 Yes

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N,N'-dimethyl-N'-[(1S)-1,2,2-trimethylpropyl]ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-yl)-N,…

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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) 3.63 7.65 -120.64 3 4 2 40 294.439 6 ↓
Mid Mid (pH 6-8) 3.63 5.98 -46.71 2 4 1 38 293.431 6 ↓
Mid Mid (pH 6-8) 3.63 6.38 -33.36 2 4 1 35 293.431 6 ↓

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