| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2008 | 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) | 2.21 | 4.21 | -61.94 | 1 | 8 | -1 | 102 | 451.499 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 6.55 | -78.12 | 2 | 8 | 0 | 104 | 452.507 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 5.74 | -60.21 | 3 | 8 | 1 | 101 | 453.515 | 7 | ↓ |
