| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 19 | 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) | 1.39 | 7.56 | -58.46 | 3 | 5 | 0 | 74 | 261.325 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 5.37 | -55.47 | 2 | 5 | -1 | 73 | 260.317 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 5.58 | -32.83 | 4 | 5 | 1 | 71 | 262.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
