| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N-ethyl-2-(4-isobutylpiperazin-1-yl)cyclooctanamine (1S,2S)-N-ethyl-2-(4-isobutylpip…
| 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) | 3.92 | 9.15 | -94.58 | 3 | 3 | 2 | 24 | 297.531 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 7.18 | -31.68 | 2 | 3 | 1 | 23 | 296.523 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 8.48 | -29.9 | 2 | 3 | 1 | 20 | 296.523 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
