| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 18 | Yes |
Popular Name: 2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(2S,5S)-2,5-dimethylmorpholin…
| 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) | 2.19 | 4.87 | -42.5 | 2 | 3 | 1 | 29 | 269.434 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 3.53 | -3.64 | 1 | 3 | 0 | 24 | 268.426 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 7.03 | -121.07 | 3 | 3 | 2 | 30 | 270.442 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 5.7 | -36.35 | 2 | 3 | 1 | 26 | 269.434 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
