UCSF

ZINC43965849

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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'-[[(2S)-tetrahydrofuran-2-yl]methyl]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) 1.97 6.37 -120.59 3 5 2 49 294.395 6 ↓
Hi High (pH 8-9.5) 1.97 2.48 -6.37 1 5 0 43 292.379 6 ↓
Mid Mid (pH 6-8) 1.97 4.2 -47.69 2 5 1 48 293.387 6 ↓
Mid Mid (pH 6-8) 1.97 5.13 -37.89 2 5 1 44 293.387 6 ↓

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