| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2006 | 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) | 4.02 | 8.82 | -17.78 | 1 | 7 | 0 | 117 | 445.567 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.02 | 2.88 | -118.65 | 3 | 7 | 2 | 119 | 447.583 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.02 | 11.07 | -62.51 | 2 | 7 | 1 | 118 | 446.575 | 7 | ↓ |
