| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 28 | 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) | 3.21 | 8.2 | -87.99 | 5 | 6 | 2 | 81 | 399.564 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 6.99 | -38.96 | 4 | 6 | 1 | 76 | 398.556 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 7.59 | -73.18 | 5 | 6 | 2 | 77 | 399.564 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 8.54 | -167.4 | 6 | 6 | 3 | 82 | 400.572 | 5 | ↓ |
