| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2009 | 37 | 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) | 3.88 | 13.46 | -55.99 | 1 | 6 | 1 | 50 | 512.621 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 10.69 | -13.75 | 0 | 6 | 0 | 49 | 511.613 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.88 | 12.99 | -57.16 | 1 | 6 | 1 | 50 | 512.621 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.88 | 15.74 | -136.53 | 2 | 6 | 2 | 52 | 513.629 | 12 | ↓ |
