| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2010 | 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) | 4.66 | 8.45 | -57.6 | 1 | 6 | -1 | 90 | 491.333 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.66 | 9.36 | -115.52 | 0 | 6 | -2 | 93 | 490.325 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.66 | 7.7 | -16.93 | 2 | 6 | 0 | 87 | 492.341 | 7 | ↓ |
