In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 21 | Yes |
Popular Name: (1R)-1-(2,5-dimethoxyphenyl)-2-[(3S)-3-ethylmorpholin-4-yl]ethanamine (1R)-1-(2,5-dimethoxyphenyl)-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) | 0.21 | 2.12 | -42.22 | 3 | 5 | 1 | 59 | 295.403 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.21 | 1.98 | -5.51 | 2 | 5 | 0 | 57 | 294.395 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.21 | 4.2 | -123.49 | 4 | 5 | 2 | 60 | 296.411 | 6 | ↓ |