In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1S)-1-(benzofuran-2-yl)-N'-[(1R)-2-methoxy-1-methyl-ethyl]-N,N'-dimethyl-ethane-1,2-diamine (1S)-1-(benzofuran-2-yl)-N'-[(1R…
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) | 2.59 | 5.34 | -39.89 | 2 | 4 | 1 | 42 | 277.388 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 4.19 | -5.05 | 1 | 4 | 0 | 38 | 276.38 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 5.94 | -34.1 | 2 | 4 | 1 | 39 | 277.388 | 7 | ↓ |