| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 16 | Yes |
Popular Name: (2S)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopentanone (2S)-2-[[4-(2-hydroxyethyl)piper…
| 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) | 0.05 | 1.99 | -40.26 | 2 | 4 | 1 | 45 | 227.328 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 2.25 | -36.29 | 2 | 4 | 1 | 45 | 227.328 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | -0.09 | -7.28 | 1 | 4 | 0 | 44 | 226.32 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
