| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: 2-(isopropylamino)-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethanone 2-(isopropylamino)-1-[4-(2-thien…
| 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) | 1.58 | 8.25 | -95.33 | 3 | 4 | 2 | 41 | 297.468 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 5.15 | -9.12 | 1 | 4 | 0 | 36 | 295.452 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 6.37 | -40.33 | 2 | 4 | 1 | 40 | 296.46 | 5 | ↓ |
