| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 36 | 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) | 3.35 | 11.58 | -42.19 | 0 | 8 | -1 | 108 | 497.556 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 10.17 | -30.65 | 1 | 8 | 0 | 106 | 498.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 10.46 | -59.75 | 2 | 8 | 1 | 107 | 499.572 | 6 | ↓ |
