| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 19 | Yes |
Popular Name: (4-bromo-1H-pyrrol-2-yl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-bromo-1H-pyrrol-2-yl)-(2,3,4,…
| 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) | 2.34 | 6.42 | -48.63 | 3 | 4 | 1 | 53 | 321.198 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 5.18 | -8.9 | 2 | 4 | 0 | 48 | 320.19 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
