| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 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) | 1.59 | 7.33 | -64.21 | 2 | 7 | -1 | 107 | 482.607 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.87 | 10.12 | -37.82 | 3 | 7 | -1 | 102 | 482.607 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 10.14 | -14.09 | 3 | 7 | 0 | 96 | 483.615 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.59 | 7.32 | -64.96 | 2 | 7 | -1 | 103 | 482.607 | 6 | ↓ |
