| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 29 | 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) | 1.17 | 8.38 | -68.87 | 2 | 7 | 0 | 94 | 396.491 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 8.72 | -96.69 | 3 | 7 | 1 | 95 | 397.499 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 7.98 | -100.4 | 4 | 7 | 2 | 92 | 398.507 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 7.62 | -44.23 | 3 | 7 | 1 | 91 | 397.499 | 7 | ↓ |
