| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2009 | 32 | 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) | 4.86 | 9.08 | -42.17 | 2 | 7 | 0 | 99 | 472.376 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 11.7 | -62.61 | 3 | 7 | 1 | 96 | 473.384 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.32 | 6.51 | -57.77 | 1 | 7 | -1 | 102 | 471.368 | 7 | ↓ |
