| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-2-[(4-isobutylpiperazin-1-yl)methyl]-N-methyl-cycloheptanamine (1S,2S)-2-[(4-isobutylpiperazin-…
| 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) | 3.42 | 8.44 | -87.47 | 3 | 3 | 2 | 24 | 283.504 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 6.47 | -37.97 | 2 | 3 | 1 | 23 | 282.496 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
