| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 33 | 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) | 2.51 | 8.9 | -59.01 | 0 | 9 | -1 | 128 | 444.423 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 0.36 | -19.49 | 0 | 9 | 0 | 122 | 445.431 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 0.47 | -50.03 | 1 | 9 | 1 | 123 | 446.439 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.51 | 8.07 | -20.63 | 1 | 9 | 0 | 126 | 445.431 | 7 | ↓ |
