| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 32 | 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) | 4.21 | 7.87 | -17.36 | 2 | 7 | 0 | 88 | 433.508 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 8.44 | -48.04 | 0 | 7 | -1 | 87 | 432.5 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 8 | -57.09 | 0 | 7 | -1 | 87 | 432.5 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 8.78 | -42.02 | 1 | 7 | -1 | 91 | 432.5 | 8 | ↓ |
