| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 20 | Yes |
Popular Name: (5-isopropoxy-3-pyridyl)-(4-methyl-1,4-diazepan-1-yl)methanone (5-isopropoxy-3-pyridyl)-(4-meth…
| 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) | 0.77 | 6.58 | -43.9 | 1 | 5 | 1 | 47 | 278.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 4.57 | -8.75 | 0 | 5 | 0 | 46 | 277.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
