| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 28 | 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) | 2.03 | 5.47 | -13.04 | 2 | 7 | 0 | 101 | 392.44 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 6.33 | -50.77 | 1 | 7 | -1 | 103 | 391.432 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 5.36 | -33.03 | 3 | 7 | 1 | 102 | 393.448 | 3 | ↓ |
