| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 33 | 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) | 3.45 | 7.36 | -58.64 | 0 | 7 | -1 | 82 | 514.396 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 9.63 | -69.84 | 1 | 7 | 0 | 83 | 515.404 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 8.88 | -52.29 | 2 | 7 | 1 | 81 | 516.412 | 8 | ↓ |
