| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2009 | 28 | No |
Popular Name: [4-(3-phenylpropyl)piperazin-1-yl]-[(2S,4S)-2-(3-pyridyl)thiazolidin-4-yl]methanone [4-(3-phenylpropyl)piperazin-1-y…
| 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) | 2.37 | 8.48 | -44.2 | 2 | 5 | 1 | 53 | 397.568 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 7.23 | -10.71 | 1 | 5 | 0 | 48 | 396.56 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 9.43 | -54.16 | 2 | 5 | 1 | 50 | 397.568 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | 9.89 | -93.79 | 3 | 5 | 2 | 51 | 398.576 | 6 | ↓ |
