| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 14 | No |
Popular Name: 3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-propanethioamide 3-(4-methyl-1,4-diazepan-1-yl)-3…
| 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) | -0.99 | 4.11 | -54.19 | 3 | 4 | 1 | 51 | 216.33 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.99 | 1.59 | -19.92 | 2 | 4 | 0 | 50 | 215.322 | 2 | ↓ |
