| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: [3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzothiophen-2-yl]methanamine [3-[[(2S,6S)-2,6-dimethylmorphol…
| 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) | 2.63 | 4.47 | -49.04 | 3 | 3 | 1 | 40 | 291.44 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 4.07 | -5.27 | 2 | 3 | 0 | 38 | 290.432 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 6.82 | -122.75 | 4 | 3 | 2 | 41 | 292.448 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
