| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2011 | 19 | Yes |
Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(6-methyl-3-pyridyl)methanol (S)-(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) | 2.30 | 4.04 | -9.51 | 1 | 4 | 0 | 52 | 322.158 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | 4.47 | -38.81 | 2 | 4 | 1 | 53 | 323.166 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
