In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 20 | Yes |
Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(1-propylimidazol-2-yl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…
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) | 2.52 | 5.5 | -36.83 | 2 | 5 | 1 | 58 | 340.197 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 4.95 | -9.62 | 1 | 5 | 0 | 57 | 339.189 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.