| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-2-(4-isobutylpiperazin-1-yl)-N-methyl-cycloheptanamine (1R,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) | 3.03 | 7.59 | -93.82 | 3 | 3 | 2 | 24 | 269.477 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 5.6 | -33.83 | 2 | 3 | 1 | 23 | 268.469 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 6.44 | -29.73 | 2 | 3 | 1 | 20 | 268.469 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
