| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 33 | No |
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) | 4.24 | 10.95 | -31.91 | 1 | 6 | 0 | 80 | 442.515 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.24 | 9.23 | -47.42 | 0 | 6 | -1 | 79 | 441.507 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.24 | 10.64 | -42.97 | 2 | 6 | 1 | 77 | 443.523 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.24 | 8.46 | -9.86 | 1 | 6 | 0 | 76 | 442.515 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.24 | 11.09 | -122.51 | 3 | 6 | 2 | 78 | 444.531 | 5 | ↓ |
