In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | Yes |
Popular Name: (1R,2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-phenyl-propan-1-amine (1R,2S)-2-[(2S,6R)-2,6-dimethylm…
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) | 0.36 | 3.9 | -47.69 | 3 | 3 | 1 | 40 | 249.378 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.36 | 3.53 | -2.86 | 2 | 3 | 0 | 38 | 248.37 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.36 | 5.53 | -31.08 | 3 | 3 | 1 | 40 | 249.378 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.36 | 5.71 | -117.73 | 4 | 3 | 2 | 41 | 250.386 | 3 | ↓ |