In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(benzofuran-2-yl)-N'-[(1S)-1-cyclopropylethyl]-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) | 3.47 | 9.36 | -113.27 | 3 | 3 | 2 | 34 | 274.408 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.47 | 7.28 | -40.11 | 2 | 3 | 1 | 33 | 273.4 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.47 | 8.09 | -33.16 | 2 | 3 | 1 | 30 | 273.4 | 6 | ↓ |