| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2011 | 22 | Yes |
Popular Name: 6-[4-[3-(dimethylamino)-2,2-dimethyl-propyl]piperazin-1-yl]pyridine-3-carbonitrile 6-[4-[3-(dimethylamino)-2,2-dime…
| 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) | 1.98 | 8.88 | -39.81 | 1 | 5 | 1 | 48 | 302.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 8.59 | -42.34 | 1 | 5 | 1 | 48 | 302.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 10.22 | -109.48 | 2 | 5 | 2 | 49 | 303.454 | 5 | ↓ |
