| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 21 | Yes |
Popular Name: (2S)-2-(isopropylamino)-3-(1,4-oxazepan-4-yl)-2-phenyl-propan-1-ol (2S)-2-(isopropylamino)-3-(1,4-o…
| 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) | 1.94 | 3.31 | -35.79 | 3 | 4 | 1 | 49 | 293.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 3.2 | -4.25 | 2 | 4 | 0 | 45 | 292.423 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 3.97 | -34.76 | 3 | 4 | 1 | 46 | 293.431 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 4.85 | -101.86 | 4 | 4 | 2 | 51 | 294.439 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
