| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: (2R)-1-(4-isobutylpiperazin-1-yl)-2-piperazin-1-yl-propan-1-one (2R)-1-(4-isobutylpiperazin-1-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) | 0.33 | 4.68 | -93.01 | 3 | 5 | 2 | 45 | 284.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.33 | 1.44 | -7.33 | 1 | 5 | 0 | 39 | 282.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 2.79 | -42.57 | 2 | 5 | 1 | 43 | 283.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
