| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 32 | Yes |
None
| 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) | 3.26 | 7.98 | -13.07 | 2 | 7 | 0 | 91 | 426.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 9.09 | -40.3 | 1 | 7 | -1 | 94 | 425.468 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 8.75 | -52.67 | 1 | 7 | -1 | 94 | 425.468 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.26 | 8.79 | -40.72 | 3 | 7 | 1 | 93 | 427.484 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.26 | 8.44 | -44.33 | 3 | 7 | 1 | 93 | 427.484 | 6 | ↓ |
