| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 20 | Yes |
Popular Name: (1S)-1-(benzofuran-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine (1S)-1-(benzofuran-2-yl)-2-(4-me…
| 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) | 0.18 | 6.27 | -100.81 | 4 | 4 | 2 | 48 | 275.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | 5.86 | -37.57 | 3 | 4 | 1 | 47 | 274.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | 4.11 | -42.2 | 3 | 4 | 1 | 47 | 274.388 | 3 | ↓ |
