| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 37 | 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) | 5.18 | 10.9 | -54.91 | 0 | 7 | -1 | 82 | 526.053 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.18 | 13.17 | -72.57 | 1 | 7 | 0 | 83 | 527.061 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 5.18 | 12.41 | -52.25 | 2 | 7 | 1 | 81 | 528.069 | 12 | ↓ |
