| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 18 | Yes |
Popular Name: 1-[(5-bromo-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-bromo-2-thienyl)methyl]-2,…
| 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) | 3.64 | 8.43 | -38.73 | 2 | 2 | 1 | 20 | 324.267 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 7.16 | -4.19 | 1 | 2 | 0 | 15 | 323.259 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
