| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2007 | 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) | 4.19 | 10.56 | -58.98 | 0 | 8 | -1 | 105 | 512.567 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.53 | -21.77 | 0 | 8 | 0 | 99 | 513.575 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.64 | 9.55 | -30.2 | 1 | 8 | 0 | 102 | 513.575 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 10.81 | -50.55 | 1 | 8 | 1 | 100 | 514.583 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.19 | 10.15 | -42.54 | 2 | 8 | 1 | 103 | 514.583 | 6 | ↓ |
