In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 16 | Yes |
Popular Name: (2R,4R)-1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-piperidin-4-amine (2R,4R)-1-[(3R)-1-cyclopropylpyr…
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) | 0.45 | 3.74 | -86.39 | 4 | 3 | 2 | 35 | 225.38 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.45 | 1.35 | -41.81 | 3 | 3 | 1 | 34 | 224.372 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.45 | 5.47 | -101.31 | 4 | 3 | 2 | 35 | 225.38 | 2 | ↓ |