| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 17 | Yes |
Popular Name: 1-(5-bromo-2-thienyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-(5-bromo-2-thienyl)-2-(4-methy…
| 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) | 2.48 | 6.88 | -34.45 | 1 | 3 | 1 | 25 | 318.26 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 4.4 | -5.72 | 0 | 3 | 0 | 24 | 317.252 | 3 | ↓ |
