| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-2-[(4-isobutylpiperazin-1-yl)methyl]cycloheptanamine (1R,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) | 2.51 | 6.28 | -95.11 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 4.31 | -43.55 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
