| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 36 | 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) | 2.89 | 9.88 | -58.5 | 0 | 8 | -1 | 101 | 485.516 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 10.05 | -16.82 | 0 | 8 | 0 | 95 | 486.524 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 9.46 | -24.7 | 1 | 8 | 0 | 98 | 486.524 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | 10.33 | -46.77 | 1 | 8 | 1 | 96 | 487.532 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 9.74 | -52.76 | 2 | 8 | 1 | 99 | 487.532 | 9 | ↓ |
