| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 20 | Yes |
Popular Name: (2S)-2-(ethylamino)-3-(1,4-oxazepan-4-yl)-2-phenyl-propan-1-ol (2S)-2-(ethylamino)-3-(1,4-oxaze…
| 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) | 1.64 | 3.13 | -37.02 | 3 | 4 | 1 | 49 | 279.404 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 2.05 | -3.42 | 2 | 4 | 0 | 45 | 278.396 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 4.6 | -112.39 | 4 | 4 | 2 | 51 | 280.412 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 3.66 | -35.06 | 3 | 4 | 1 | 46 | 279.404 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
