| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 25 | 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) | 2.45 | 6.67 | -55.48 | 1 | 7 | -1 | 113 | 356.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 6.81 | -115.58 | 0 | 7 | -2 | 115 | 355.375 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
