| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 20 | No |
Popular Name: 4-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzenecarbothioamide 4-[2-(4-methyl-1,4-diazepan-1-yl…
| 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) | 1.99 | 5.9 | -43.25 | 3 | 4 | 1 | 43 | 294.444 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 3.64 | -12.85 | 2 | 4 | 0 | 42 | 293.436 | 5 | ↓ |
