| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 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) | 2.54 | 9.03 | -54.25 | 0 | 9 | -1 | 104 | 522.622 | 12 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 11.35 | -75.78 | 1 | 9 | 0 | 105 | 523.63 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 10.06 | -64.47 | 2 | 9 | 1 | 103 | 524.638 | 12 | ↓ |
