| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 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) | 0.05 | 4.18 | -78.28 | 2 | 5 | 0 | 73 | 227.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | 2.89 | -50.63 | 1 | 5 | -1 | 68 | 226.281 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.05 | 4.59 | -90.9 | 3 | 5 | 1 | 74 | 228.297 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
