| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | No |
Popular Name: [4-(2-pyridylmethyl)piperazin-1-yl]-[(4R)-thiazolidin-4-yl]methanone [4-(2-pyridylmethyl)piperazin-1-…
| 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) | -0.07 | 3.47 | -40.53 | 2 | 5 | 1 | 53 | 293.416 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.07 | 2.3 | -40.98 | 2 | 5 | 1 | 50 | 293.416 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.07 | 2.3 | -13.1 | 1 | 5 | 0 | 48 | 292.408 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.07 | 3.47 | -86.09 | 3 | 5 | 2 | 54 | 294.424 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.07 | 5.68 | -188.94 | 4 | 5 | 3 | 55 | 295.432 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.07 | 5.69 | -98.9 | 3 | 5 | 2 | 54 | 294.424 | 3 | ↓ |
