| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 15 | No |
Popular Name: (2S)-2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-propanethioamide (2S)-2-methyl-3-(4-methyl-1,4-di…
| 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) | -0.51 | 4.35 | -48.49 | 3 | 4 | 1 | 51 | 230.357 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.51 | 2.2 | -15.48 | 2 | 4 | 0 | 50 | 229.349 | 2 | ↓ |
