In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1S)-1-(benzofuran-2-yl)-N'-[(1S)-1,3-dimethylbutyl]-N,N'-dimethyl-ethane-1,2-diamine (1S)-1-(benzofuran-2-yl)-N'-[(1S…
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) | 4.26 | 10.14 | -119.83 | 3 | 3 | 2 | 34 | 290.451 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 8.65 | -36.27 | 2 | 3 | 1 | 33 | 289.443 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 9.03 | -34.65 | 2 | 3 | 1 | 30 | 289.443 | 7 | ↓ |