| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 21 | Yes |
Popular Name: (3S)-3-ethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[2-(4-methylpiper…
| 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) | 0.18 | 8.37 | -91.03 | 2 | 6 | 1 | 69 | 298.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | 4.51 | -54.51 | 0 | 6 | -1 | 67 | 296.391 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 6.01 | -44.44 | 1 | 6 | 0 | 68 | 297.399 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
