| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (2S,4R)-2-[(4-ethylpiperazin-1-yl)methyl]-4-propyl-cyclohexanone (2S,4R)-2-[(4-ethylpiperazin-1-y…
| 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) | 2.81 | 8.24 | -36.38 | 1 | 3 | 1 | 25 | 267.437 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 8 | -37.4 | 1 | 3 | 1 | 25 | 267.437 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 5.96 | -4.53 | 0 | 3 | 0 | 24 | 266.429 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
