UCSF

ZINC42741585

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 Yes

Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(1R)-1,2,2-trimethylpropyl]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) 2.27 6.2 -124.91 4 4 2 51 294.439 5 ↓
Hi High (pH 8-9.5) 2.27 5.92 -32.87 3 4 1 49 293.431 5 ↓
Mid Mid (pH 6-8) 2.27 4.89 -49.54 3 4 1 49 293.431 5 ↓

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