| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 30 | 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) | 2.25 | 7.47 | -60.81 | 0 | 7 | -1 | 92 | 409.462 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 7.13 | -14.03 | 1 | 7 | 0 | 89 | 410.47 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 7.77 | -14.51 | 0 | 7 | 0 | 86 | 410.47 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 7.44 | -58.05 | 2 | 7 | 1 | 90 | 411.478 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 8.04 | -48.38 | 1 | 7 | 1 | 87 | 411.478 | 8 | ↓ |
