| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 21 | Yes |
Popular Name: [(2S,3S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-morpholin-2-yl]methanamine [(2S,3S)-3-(3,4-dihydro-2H-1,5-b…
| 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) | 0.72 | 2.59 | -41.71 | 3 | 5 | 1 | 59 | 293.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 2.12 | -6.02 | 2 | 5 | 0 | 57 | 292.379 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 4.48 | -105.7 | 4 | 5 | 2 | 60 | 294.395 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
