| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 25 | 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) | 3.84 | 5.52 | -40.87 | 1 | 5 | -1 | 78 | 436.694 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 6.3 | -92.24 | 0 | 5 | -2 | 81 | 435.686 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | 7.53 | -9.1 | 2 | 5 | 0 | 75 | 437.702 | 2 | ↓ |
