| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 15th, 2010 | 43 | 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) | 4.27 | 9.44 | -46.11 | 1 | 9 | -1 | 112 | 585.677 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.27 | 11.7 | -57.91 | 2 | 9 | 0 | 113 | 586.685 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 4.27 | 10.94 | -46.73 | 3 | 9 | 1 | 110 | 587.693 | 12 | ↓ |
