| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 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) | 3.49 | 9.86 | -54.61 | 0 | 8 | -1 | 91 | 526.009 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 12.19 | -77.63 | 1 | 8 | 0 | 93 | 527.017 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 10.89 | -64.56 | 2 | 8 | 1 | 90 | 528.025 | 11 | ↓ |
