| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: 3-(4-methyl-1,4-diazepan-1-yl)-1-(p-tolyl)propan-1-one 3-(4-methyl-1,4-diazepan-1-yl)-1…
| 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) | 2.37 | 8.32 | -39.61 | 1 | 3 | 1 | 25 | 261.389 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 5.8 | -6.14 | 0 | 3 | 0 | 24 | 260.381 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | 10.15 | -117.97 | 2 | 3 | 2 | 26 | 262.397 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
