| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 21 | Yes |
Popular Name: [(2S)-1-ethyl-2-piperidyl]-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methanone [(2S)-1-ethyl-2-piperidyl]-[4-(2…
| 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) | 1.03 | 4.77 | -32.81 | 2 | 5 | 1 | 48 | 298.451 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 2.68 | -8.69 | 1 | 5 | 0 | 47 | 297.443 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 6.46 | -89.99 | 3 | 5 | 2 | 49 | 299.459 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
