| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 18 | Yes |
Popular Name: 1-(1,4-diazepan-1-yl)-2-(4-hydroxypyrimidin-2-yl)sulfanyl-ethanone 1-(1,4-diazepan-1-yl)-2-(4-hydro…
| 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) | 0.31 | 1.1 | -70.12 | 2 | 6 | 0 | 86 | 268.342 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | -0.26 | -45.14 | 1 | 6 | -1 | 81 | 267.334 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.15 | 2.52 | -57.64 | 3 | 6 | 1 | 83 | 269.35 | 3 | ↓ |
