| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 29 | No |
Popular Name: [4-(4-phenylbutyl)piperazin-1-yl]-[(2S,4S)-2-(3-pyridyl)thiazolidin-4-yl]methanone [4-(4-phenylbutyl)piperazin-1-yl…
| 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) | 2.64 | 10.19 | -53.98 | 2 | 5 | 1 | 50 | 411.595 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 7.98 | -10.45 | 1 | 5 | 0 | 48 | 410.587 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.64 | 10.65 | -92.54 | 3 | 5 | 2 | 51 | 412.603 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4987132 | IBM Patent Data |
