| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2010 | 20 | Yes |
Popular Name: 1-[4-[[4-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-1,4-diazepan-1-yl]ethanone 1-[4-[[4-(3-hydroxyprop-1-ynyl)-…
| 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) | 0.66 | 6.25 | -46.69 | 2 | 4 | 1 | 45 | 293.412 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 4.37 | -13.91 | 1 | 4 | 0 | 44 | 292.404 | 2 | ↓ |
