| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 17 | 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) | 1.42 | 3.32 | -52.17 | 4 | 4 | 1 | 69 | 225.275 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 2.92 | -8.92 | 3 | 4 | 0 | 68 | 224.267 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 2.91 | -9.08 | 3 | 4 | 0 | 68 | 224.267 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 3.78 | -91.69 | 5 | 4 | 2 | 70 | 226.283 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 3.77 | -95.9 | 5 | 4 | 2 | 70 | 226.283 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
