| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 22 | Yes |
Popular Name: 2-[[(2S)-2-butyl-4-methyl-3-oxo-piperazin-1-yl]methyl]pyridine-3-carboxylic 2-[[(2S)-2-butyl-4-methyl-3-oxo-…
| 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) | 1.62 | 7.62 | -32.34 | 1 | 6 | 0 | 78 | 305.378 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 5.94 | -45.76 | 0 | 6 | -1 | 77 | 304.37 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
