| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 33 | Yes |
Popular Name: N-[6-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-(trifluoromethyl)benzamide N-[6-[4-(4-pyridylmethyl)-1,4-di…
| 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) | 3.37 | 12.18 | -50.13 | 2 | 6 | 1 | 63 | 456.492 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 10.31 | -11.78 | 1 | 6 | 0 | 61 | 455.484 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.37 | 12.51 | -111.35 | 3 | 6 | 2 | 64 | 457.5 | 6 | ↓ |
