| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 12 | 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) | 1.05 | 2.14 | -44.25 | 4 | 3 | 1 | 56 | 202.328 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 0.45 | -5.69 | 3 | 3 | 0 | 51 | 201.32 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 2.55 | -84.6 | 5 | 3 | 2 | 57 | 203.336 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
