In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: 2-[4-(2-aminoethyl)piperazin-1-yl]pyridine-3-carboxamide 2-[4-(2-aminoethyl)piperazin-1-y…
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) | -1.39 | -0.75 | -48.84 | 5 | 6 | 1 | 90 | 250.326 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.39 | -0.28 | -90.18 | 6 | 6 | 2 | 91 | 251.334 | 4 | ↓ |