| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2009 | 27 | 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) | 3.44 | 3.95 | -14.33 | 4 | 6 | 0 | 116 | 446.326 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 3.18 | -98.67 | 2 | 6 | -2 | 125 | 444.31 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 4.73 | -38.61 | 3 | 6 | -1 | 119 | 445.318 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 2.41 | -47 | 3 | 6 | -1 | 123 | 445.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
