| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 16 | Yes |
Popular Name: [(2S,5R)-5-methylpiperazin-2-yl]-(1,4-oxazepan-4-yl)methanone [(2S,5R)-5-methylpiperazin-2-yl]…
| 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) | -0.47 | 0.43 | -38.42 | 3 | 5 | 1 | 58 | 228.316 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.47 | -0.76 | -7.07 | 2 | 5 | 0 | 54 | 227.308 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
