UCSF

ZINC43896306

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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,N'-dimethyl-N'-[(1S)-1-methylbutyl]ethane-1,2-diamine (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) 2.99 7.98 -114.17 3 4 2 40 294.439 7 ↓
Mid Mid (pH 6-8) 2.99 6.83 -32.6 2 4 1 35 293.431 7 ↓
Mid Mid (pH 6-8) 2.99 6.24 -44.21 2 4 1 38 293.431 7 ↓

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