| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | No |
Popular Name: (3R,4R)-1,1-dioxo-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)thiolan-3-ol (3R,4R)-1,1-dioxo-4-(1,3,4,5-tet…
| 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) | 0.86 | 2.42 | -47.82 | 2 | 4 | 1 | 59 | 282.385 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 0.38 | -13.27 | 1 | 4 | 0 | 58 | 281.377 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 3.07 | -41.47 | 1 | 4 | 0 | 62 | 281.377 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
