UCSF

ZINC43895340

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 Yes

Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[(1S)-1,2-dimethylpropyl]-N,N'-dimethyl-ethane-1,2-diam (1R)-1-(2,3-dihydro-1,4-benzodio…

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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) 2.67 8.09 -121.76 3 4 2 40 294.439 6 ↓
Hi High (pH 8-9.5) 2.67 6.54 -39.52 2 4 1 38 293.431 6 ↓
Mid Mid (pH 6-8) 2.67 6.9 -34.49 2 4 1 35 293.431 6 ↓

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