| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 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) | 5.39 | 11.73 | -11.22 | 2 | 7 | 0 | 91 | 496.611 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.39 | 12.54 | -49.09 | 1 | 7 | -1 | 94 | 495.603 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.16 | 11.58 | -57.71 | 0 | 7 | -1 | 90 | 495.603 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.16 | 11.76 | -54.42 | 0 | 7 | -1 | 90 | 495.603 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.39 | 11.92 | -51.77 | 3 | 7 | 1 | 93 | 497.619 | 8 | ↓ |
