| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 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) | 2.74 | 7.03 | -44.45 | 3 | 3 | 1 | 50 | 279.363 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 6.87 | -8.6 | 2 | 3 | 0 | 48 | 278.355 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.74 | 7.38 | -92.11 | 4 | 3 | 2 | 51 | 280.371 | 4 | ↓ |
