| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 36 | 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) | 4.64 | 7.97 | -17.34 | 3 | 8 | 0 | 108 | 493.604 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 8.51 | -47.95 | 1 | 8 | -1 | 107 | 492.596 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 8.21 | -59.51 | 1 | 8 | -1 | 107 | 492.596 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.64 | 9.06 | -42.67 | 2 | 8 | -1 | 111 | 492.596 | 11 | ↓ |
