| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 12th, 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) | 2.10 | 8.43 | -68.13 | 0 | 8 | -1 | 109 | 404.402 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 8.51 | -18.84 | 1 | 8 | 0 | 106 | 405.41 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 9.17 | -27.3 | 0 | 8 | 0 | 103 | 405.41 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 8.8 | -49.82 | 2 | 8 | 1 | 107 | 406.418 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 9.46 | -63.12 | 1 | 8 | 1 | 104 | 406.418 | 6 | ↓ |
