| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 19 | Yes |
Popular Name: (4-isobutylpiperazin-1-yl)-[(2R,3R)-3-methyl-2-piperidyl]methanone (4-isobutylpiperazin-1-yl)-[(2R,…
| 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) | 1.60 | 5.36 | -36.43 | 2 | 4 | 1 | 40 | 268.425 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 4.1 | -7.05 | 1 | 4 | 0 | 36 | 267.417 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 7.22 | -95.76 | 3 | 4 | 2 | 41 | 269.433 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
