| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 16 | 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) | 1.61 | 3.26 | -26.32 | 4 | 5 | 0 | 84 | 216.244 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 2.92 | -28.11 | 4 | 5 | 0 | 87 | 216.244 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 3.12 | -39.49 | 3 | 5 | -1 | 86 | 215.236 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
