In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2010 | 20 | Yes |
Popular Name: N-isopropyl-N'-[(7-methoxybenzofuran-2-yl)methyl]-N-methyl-ethane-1,2-diamine N-isopropyl-N'-[(7-methoxybenzof…
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) | 2.77 | 7.55 | -118.46 | 3 | 4 | 2 | 43 | 278.396 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 3.9 | -7.24 | 1 | 4 | 0 | 38 | 276.38 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 5.11 | -44.35 | 2 | 4 | 1 | 42 | 277.388 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 6.18 | -37.64 | 2 | 4 | 1 | 39 | 277.388 | 7 | ↓ |