| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | No |
Popular Name: 2-(4-acetyl-1,4-diazepan-1-yl)-6-methyl-pyridine-3-carbothioamide 2-(4-acetyl-1,4-diazepan-1-yl)-6…
| 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) | 0.47 | 6.24 | -17.01 | 2 | 5 | 0 | 62 | 292.408 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 6.7 | -46.21 | 3 | 5 | 1 | 64 | 293.416 | 2 | ↓ |
