| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 21 | Yes |
Popular Name: (2S)-3-(1,4-oxazepan-4-yl)-2-phenyl-2-(propylamino)propan-1-ol (2S)-3-(1,4-oxazepan-4-yl)-2-phe…
| 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) | 2.14 | 3.89 | -37.52 | 3 | 4 | 1 | 49 | 293.431 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 4.81 | -3.23 | 2 | 4 | 0 | 45 | 292.423 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 5.94 | -103.29 | 4 | 4 | 2 | 51 | 294.439 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 6.12 | -31.1 | 3 | 4 | 1 | 46 | 293.431 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
