| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 21 | 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) | 3.60 | 5.11 | -46.49 | 3 | 3 | 1 | 40 | 329.917 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 4.7 | -1.91 | 2 | 3 | 0 | 38 | 328.909 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.60 | 6.89 | -120.48 | 4 | 3 | 2 | 41 | 330.925 | 4 | ↓ |
