| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 16 | Yes |
Popular Name: (2S)-2-[(4-isopropylpiperazin-1-yl)methyl]cyclopentanone (2S)-2-[(4-isopropylpiperazin-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) | 1.35 | 6.32 | -30.84 | 1 | 3 | 1 | 25 | 225.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 5.87 | -38.3 | 1 | 3 | 1 | 25 | 225.356 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 4.1 | -5.64 | 0 | 3 | 0 | 24 | 224.348 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
