| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 18 | Yes |
Popular Name: 1-(4-methyl-1,4-diazepan-1-yl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propan-1-one 1-(4-methyl-1,4-diazepan-1-yl)-3…
| 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) | 0.57 | 7.13 | -86.27 | 3 | 4 | 2 | 41 | 255.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 2.43 | -40.49 | 0 | 4 | -1 | 38 | 252.382 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 5.07 | -43 | 2 | 4 | 1 | 40 | 254.398 | 3 | ↓ |
