| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 20 | No |
Popular Name: (4-methylpiperazin-1-yl)-[(2S,4R)-2-(3-pyridyl)thiazolidin-4-yl]methanone (4-methylpiperazin-1-yl)-[(2S,4R…
None
| 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) | 0.05 | 4.39 | -51.63 | 2 | 5 | 1 | 50 | 293.416 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 2.04 | -11.78 | 1 | 5 | 0 | 48 | 292.408 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.05 | 4.85 | -88.45 | 3 | 5 | 2 | 51 | 294.424 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4987132 | IBM Patent Data |
