In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: N-[(3R)-1-isopropylpyrrolidin-3-yl]-1-(2-pyridyl)piperidin-4-amine N-[(3R)-1-isopropylpyrrolidin-3-…
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) | 2.14 | 6.84 | -89.25 | 3 | 4 | 2 | 37 | 290.455 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 8.87 | -115.24 | 3 | 4 | 2 | 37 | 290.455 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 6.53 | -42.2 | 2 | 4 | 1 | 36 | 289.447 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 9.2 | -174.35 | 4 | 4 | 3 | 38 | 291.463 | 4 | ↓ |