In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 18 | Yes |
Popular Name: (2R)-2-methyl-3-[4-(2-pyridyl)piperazin-1-yl]propanamidine (2R)-2-methyl-3-[4-(2-pyridyl)pi…
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) | 0.87 | 3.62 | -73.55 | 5 | 5 | 2 | 72 | 249.362 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.87 | 3.29 | -37.14 | 4 | 5 | 1 | 71 | 248.354 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.87 | 5.55 | -174.09 | 6 | 5 | 3 | 73 | 250.37 | 4 | ↓ |