| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 20 | Yes |
Popular Name: (2R)-2-(methylamino)-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-2-phenyl-propan-1-ol (2R)-2-(methylamino)-3-[(2S)-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 | 3.93 | -37.92 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 3.29 | -33.51 | 3 | 4 | 1 | 46 | 279.404 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 2.9 | -4 | 2 | 4 | 0 | 45 | 278.396 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 4.33 | -111.58 | 4 | 4 | 2 | 51 | 280.412 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
