| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 38 | 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) | 3.12 | 11.17 | -74.53 | 3 | 9 | 0 | 126 | 523.63 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 8.95 | -59.58 | 2 | 9 | -1 | 125 | 522.622 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 9.89 | -65.95 | 4 | 9 | 1 | 124 | 524.638 | 13 | ↓ |
