| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 17 | No |
Popular Name: 2-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbothioamide 2-(4-methyl-1,4-diazepan-1-yl)py…
| 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) | 1.05 | 6.56 | -34.85 | 3 | 4 | 1 | 47 | 251.379 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 4.52 | -14.46 | 2 | 4 | 0 | 45 | 250.371 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 6.98 | -97.61 | 4 | 4 | 2 | 48 | 252.387 | 2 | ↓ |
