| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-2-(4-isobutylpiperazin-1-yl)-N-methyl-cyclooctanamine (1S,2S)-2-(4-isobutylpiperazin-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) | 3.54 | 8.71 | -95.65 | 3 | 3 | 2 | 24 | 283.504 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 8.05 | -31.48 | 2 | 3 | 1 | 20 | 282.496 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 6.72 | -33.57 | 2 | 3 | 1 | 23 | 282.496 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
