| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | 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) | 1.17 | 7.67 | -120.16 | 3 | 5 | 2 | 58 | 295.427 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 6.6 | -40.33 | 2 | 5 | 1 | 54 | 294.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 4.09 | -7.61 | 1 | 5 | 0 | 53 | 293.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
