In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1R)-1-(2,4-dimethylphenyl)-2-[(3S)-3-ethylmorpholin-4-yl]-N-methyl-ethanamine (1R)-1-(2,4-dimethylphenyl)-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) | 3.25 | 6.18 | -42.29 | 2 | 3 | 1 | 29 | 277.432 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 6.03 | -3.19 | 1 | 3 | 0 | 24 | 276.424 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.25 | 8.11 | -115.14 | 3 | 3 | 2 | 30 | 278.44 | 5 | ↓ |