| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: [(2S,3S)-3-(benzothiophen-3-yl)-4-ethyl-morpholin-2-yl]methanamine [(2S,3S)-3-(benzothiophen-3-yl)-…
| 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) | 1.83 | 3.63 | -40.76 | 3 | 3 | 1 | 40 | 277.413 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 3.25 | -4.05 | 2 | 3 | 0 | 38 | 276.405 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 5.54 | -103.39 | 4 | 3 | 2 | 41 | 278.421 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
