| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 29 | 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) | 4.46 | 7.7 | -10.89 | 2 | 6 | 0 | 78 | 391.471 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 7.99 | -53.84 | 0 | 6 | -1 | 77 | 390.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 8.29 | -54.42 | 0 | 6 | -1 | 77 | 390.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 8.67 | -39.02 | 1 | 6 | -1 | 81 | 390.463 | 5 | ↓ |
