| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 17 | No |
Popular Name: (2S)-2-(4-methyl-1,4-diazepane-1-carbonyl)pentanethioamide (2S)-2-(4-methyl-1,4-diazepane-1…
| 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) | 0.55 | 5.66 | -39.02 | 3 | 4 | 1 | 51 | 258.411 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 3.95 | -5.79 | 2 | 4 | 0 | 50 | 257.403 | 4 | ↓ |
