| 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) | 6.13 | 15.51 | -72.61 | 1 | 7 | 0 | 83 | 522.686 | 16 | ↓ |
| Hi High (pH 8-9.5) | 6.13 | 13.2 | -57.17 | 0 | 7 | -1 | 82 | 521.678 | 16 | ↓ |
| Lo Low (pH 4.5-6) | 6.13 | 14.22 | -59.3 | 2 | 7 | 1 | 81 | 523.694 | 16 | ↓ |
