In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | Yes |
Popular Name: (2R)-2-cyclopropyl-2-[4-(2-pyridyl)piperazin-1-yl]ethanamine (2R)-2-cyclopropyl-2-[4-(2-pyrid…
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) | 0.69 | 4.15 | -47.78 | 3 | 4 | 1 | 47 | 247.366 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.69 | 4.46 | -86.4 | 4 | 4 | 2 | 48 | 248.374 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.69 | 6.05 | -128.9 | 4 | 4 | 2 | 48 | 248.374 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.69 | 6.38 | -197.18 | 5 | 4 | 3 | 49 | 249.382 | 4 | ↓ |