| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 35 | 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) | 3.42 | 7.2 | -18.65 | 3 | 8 | 0 | 112 | 470.529 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 8.33 | -43.01 | 2 | 8 | -1 | 114 | 469.521 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 7.75 | -49 | 1 | 8 | -1 | 110 | 469.521 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 7.44 | -62.66 | 1 | 8 | -1 | 110 | 469.521 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.42 | 7.69 | -48.58 | 4 | 8 | 1 | 113 | 471.537 | 6 | ↓ |
