In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-(p-tolyl)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-amine (1R,2S)-1-(p-tolyl)-2-[(6S)-2,2,…
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) | 1.25 | 5.63 | -44.52 | 3 | 3 | 1 | 40 | 277.432 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 4.96 | -3.08 | 2 | 3 | 0 | 38 | 276.424 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 7.04 | -118.96 | 4 | 3 | 2 | 41 | 278.44 | 3 | ↓ |