In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: 6-methyl-2-(2-piperazin-1-ylethylamino)pyridine-3-carbonitrile 6-methyl-2-(2-piperazin-1-ylethy…
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) | -0.02 | 3.02 | -42.01 | 3 | 5 | 1 | 69 | 246.338 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.02 | 5.27 | -117.27 | 4 | 5 | 2 | 70 | 247.346 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.02 | 3.93 | -36.92 | 3 | 5 | 1 | 65 | 246.338 | 4 | ↓ |