| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: 1-(2,5-dichloro-3-thienyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone 1-(2,5-dichloro-3-thienyl)-2-(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) | 4.59 | 11.12 | -41.63 | 1 | 2 | 1 | 22 | 341.283 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 9.08 | -6.86 | 0 | 2 | 0 | 20 | 340.275 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
