| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 25 | No |
Popular Name: 7-bromo-2-(p-tolyl)-5-(4-pyridyl)-1H-1,3,4-benzotriazepine 7-bromo-2-(p-tolyl)-5-(4-pyridyl…
| 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) | 5.07 | 10.47 | -6.57 | 1 | 4 | 0 | 54 | 391.272 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.07 | 11.54 | -88.36 | 3 | 4 | 2 | 57 | 393.288 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
