In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: [2-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-6-methyl-3-pyridyl]methanamine [2-[(2S,5R)-5-ethyl-2-methyl-mor…
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) | 1.41 | 4.56 | -100.44 | 4 | 4 | 2 | 54 | 251.374 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 3.7 | -5.27 | 2 | 4 | 0 | 51 | 249.358 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 4.15 | -26.21 | 3 | 4 | 1 | 53 | 250.366 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 4.12 | -47.87 | 3 | 4 | 1 | 53 | 250.366 | 3 | ↓ |