| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: (3S)-3-ethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]pyrrolidine-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) | -0.09 | 7.64 | -95.92 | 2 | 6 | 1 | 69 | 284.38 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | 2.82 | -55.53 | 0 | 6 | -1 | 67 | 282.364 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 5.3 | -49.21 | 1 | 6 | 0 | 68 | 283.372 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
