| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2009 | 24 | Yes |
Popular Name: 2-[4-(2-dimethylaminoethyl)-5-oxo-1,4-diazepan-1-yl]-N-ethyl-pyridine-3-carboxamide 2-[4-(2-dimethylaminoethyl)-5-ox…
| 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) | 0.18 | 6.58 | -44.76 | 2 | 7 | 1 | 70 | 334.444 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | 4.04 | -15.17 | 1 | 7 | 0 | 69 | 333.436 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.18 | 7.01 | -91.04 | 3 | 7 | 2 | 71 | 335.452 | 6 | ↓ |
