| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 15 | Yes |
| 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) | -0.23 | 3.32 | -54.93 | 4 | 4 | 1 | 69 | 206.269 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 2.97 | -8.18 | 3 | 4 | 0 | 68 | 205.261 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 2.93 | -6.24 | 3 | 4 | 0 | 68 | 205.261 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.23 | 3.66 | -117.2 | 5 | 4 | 2 | 71 | 207.277 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.23 | 3.65 | -114.32 | 5 | 4 | 2 | 71 | 207.277 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
