| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | Yes |
Popular Name: (4-bromo-2-hydroxy-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-bromo-2-hydroxy-phenyl)-(2,3,…
| 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) | 3.72 | 5.87 | -48.92 | 3 | 4 | 1 | 57 | 348.22 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 5.49 | -52.87 | 1 | 4 | -1 | 55 | 346.204 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 4.59 | -8.87 | 2 | 4 | 0 | 53 | 347.212 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
