In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 20 | Yes |
Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-2-…
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) | -0.08 | 2.53 | -52.23 | 3 | 5 | 1 | 59 | 279.36 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.08 | 2.1 | -6.32 | 2 | 5 | 0 | 57 | 278.352 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.08 | 4.45 | -144.49 | 4 | 5 | 2 | 60 | 280.368 | 3 | ↓ |