| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 20 | Yes |
Popular Name: (2R)-2-(methylamino)-3-[(2R)-2-methyl-1,4-oxazepan-4-yl]-2-phenyl-propan-1-ol (2R)-2-(methylamino)-3-[(2R)-2-m…
| 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) | 1.63 | 3.45 | -37.63 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 3.72 | -33.3 | 3 | 4 | 1 | 46 | 279.404 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 2.39 | -3.67 | 2 | 4 | 0 | 45 | 278.396 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 4.78 | -110.9 | 4 | 4 | 2 | 51 | 280.412 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
