| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 24 | Yes |
Popular Name: 1-(3-pyridylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine 1-(3-pyridylmethyl)-4-[[4-(trifl…
| 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) | 2.69 | 8.68 | -44.4 | 1 | 3 | 1 | 21 | 336.381 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 8.67 | -46.69 | 1 | 3 | 1 | 21 | 336.381 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 6.35 | -5.88 | 0 | 3 | 0 | 19 | 335.373 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 9.03 | -95.54 | 2 | 3 | 2 | 22 | 337.389 | 5 | ↓ |
