| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 18 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(2-pyridyl)piperazin-1-yl]propanamidine (2S)-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 | -73.03 | 5 | 5 | 2 | 72 | 249.362 | 4 | ↓ |
| Hi High (pH 8-9.5) | -2.42 | 3.82 | -7.28 | 4 | 5 | 0 | 71 | 247.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 3.33 | -36.1 | 4 | 5 | 1 | 71 | 248.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 5.25 | -185.58 | 7 | 5 | 3 | 75 | 250.37 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 5.03 | -32.53 | 5 | 5 | 1 | 73 | 248.354 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.87 | 5.6 | -173.22 | 6 | 5 | 3 | 73 | 250.37 | 4 | ↓ |
