| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: [(3S)-3-(1,4-oxazepan-4-yl)-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-(1,4-oxazepan-4-yl)-1,1-…
| 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) | -0.88 | -1.54 | -54.51 | 3 | 5 | 1 | 74 | 263.383 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.88 | -2.26 | -11.05 | 2 | 5 | 0 | 73 | 262.375 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.88 | 0 | -137.6 | 4 | 5 | 2 | 75 | 264.391 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
