| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 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) | 4.84 | 13.13 | -72.16 | 1 | 7 | 0 | 83 | 498.579 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.84 | 10.59 | -56.92 | 0 | 7 | -1 | 82 | 497.571 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.29 | 12.01 | -60.1 | 2 | 7 | 1 | 81 | 499.587 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.26 | 13.02 | -62.03 | 1 | 7 | 1 | 77 | 499.587 | 11 | ↓ |
