| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | No |
Popular Name: [(3S)-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(2S)-2-methyl-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) | -0.78 | -1.54 | -65.61 | 3 | 5 | 1 | 74 | 263.383 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | -2.22 | -11.52 | 2 | 5 | 0 | 73 | 262.375 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.78 | -0.08 | -151.16 | 4 | 5 | 2 | 75 | 264.391 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
