| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 37 | 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) | 4.35 | 11.46 | -51.98 | 2 | 8 | 0 | 104 | 510.631 | 14 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 9.14 | -43.18 | 1 | 8 | -1 | 102 | 509.623 | 14 | ↓ |
| Lo Low (pH 4.5-6) | 4.35 | 10.32 | -54.17 | 3 | 8 | 1 | 101 | 511.639 | 14 | ↓ |
