| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 20 | Yes |
Popular Name: [4-(2-pyridylmethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-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) | -0.04 | 3.28 | -41.19 | 2 | 5 | 1 | 53 | 275.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | 1.99 | -11.58 | 1 | 5 | 0 | 48 | 274.368 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 3.68 | -82.68 | 3 | 5 | 2 | 54 | 276.384 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.04 | 5.82 | -180.07 | 4 | 5 | 3 | 55 | 277.392 | 3 | ↓ |
