| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | 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) | 1.13 | 2.49 | -50.81 | 3 | 4 | 1 | 53 | 276.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 2.13 | -4.49 | 2 | 4 | 0 | 51 | 275.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.13 | 3.41 | -110.74 | 4 | 4 | 2 | 54 | 277.412 | 3 | ↓ |
