In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: [4-[(3,3-dimethylmorpholin-4-yl)methyl]-3-fluoro-phenyl]methanamine [4-[(3,3-dimethylmorpholin-4-yl)…
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) | 1.67 | 2.66 | -49.03 | 3 | 3 | 1 | 40 | 253.341 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.67 | 2.25 | -3.81 | 2 | 3 | 0 | 38 | 252.333 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.67 | 4.78 | -91.69 | 4 | 3 | 2 | 41 | 254.349 | 3 | ↓ |