| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]cycloheptanol (1S,2S)-2-[[4-[(1R)-1-methylprop…
| 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) | 3.09 | 5.73 | -30.8 | 2 | 3 | 1 | 28 | 269.453 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 3.8 | -1.86 | 1 | 3 | 0 | 27 | 268.445 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 5.55 | -31.91 | 2 | 3 | 1 | 28 | 269.453 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
