| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 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) | 4.51 | 10.06 | -14.31 | 2 | 6 | 0 | 82 | 489.373 | 4 | ↓ |
| Ref Reference (pH 7) | 4.51 | 10.01 | -12 | 2 | 6 | 0 | 82 | 489.373 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.51 | 10.83 | -42.52 | 1 | 6 | -1 | 85 | 488.365 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 9.87 | -57.92 | 0 | 6 | -1 | 81 | 488.365 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 10.06 | -51.91 | 0 | 6 | -1 | 81 | 488.365 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.51 | 10.24 | -45.16 | 3 | 6 | 1 | 83 | 490.381 | 4 | ↓ |
