| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2004 | 31 | No |
| 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) | 4.23 | 14.06 | -17.38 | 1 | 6 | 0 | 73 | 451.983 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 13.91 | -42.2 | 0 | 6 | -1 | 74 | 450.975 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.23 | 14.31 | -38.93 | 2 | 6 | 1 | 74 | 452.991 | 4 | ↓ |
