| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | No |
Popular Name: [1,1-dioxo-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)thian-4-yl]methanamine [1,1-dioxo-4-(1,3,4,5-tetrahydro…
| 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) | 0.92 | 2.32 | -63.09 | 3 | 4 | 1 | 65 | 309.455 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 3.52 | -46.98 | 3 | 4 | 1 | 65 | 309.455 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 1.58 | -11.49 | 2 | 4 | 0 | 63 | 308.447 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 3.94 | -151.25 | 4 | 4 | 2 | 66 | 310.463 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
