| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2006 | 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) | 3.65 | 14.08 | -27.18 | 0 | 4 | 0 | 68 | 410.554 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.82 | 14.24 | -118.77 | 0 | 4 | -2 | 80 | 408.538 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.82 | 13.16 | -69.73 | 1 | 4 | -1 | 77 | 409.546 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 14.17 | -52.45 | 0 | 4 | -1 | 74 | 409.546 | 3 | ↓ |
