| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2006 | 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) | 2.00 | 7.98 | -60.97 | 0 | 7 | -1 | 96 | 403.414 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 7.92 | -13.98 | 0 | 7 | 0 | 90 | 404.422 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 7.54 | -15.79 | 1 | 7 | 0 | 93 | 404.422 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 8.2 | -46.22 | 1 | 7 | 1 | 91 | 405.43 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 7.82 | -45.96 | 2 | 7 | 1 | 94 | 405.43 | 6 | ↓ |
