| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2004 | 30 | Yes |
| 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) | 2.87 | 9.43 | -23.05 | 2 | 7 | 0 | 92 | 423.904 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 10.47 | -34.53 | 4 | 7 | 1 | 97 | 424.912 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 9.92 | -35.25 | 3 | 7 | 1 | 94 | 424.912 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.87 | 9.75 | -40.33 | 3 | 7 | 1 | 94 | 424.912 | 6 | ↓ |
