| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | No |
| 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) | 1.32 | 5.89 | -11.22 | 2 | 4 | 0 | 55 | 258.35 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 6.06 | -41.36 | 3 | 4 | 1 | 56 | 259.358 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 6.06 | -36.24 | 3 | 4 | 1 | 56 | 259.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
