| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 34 | 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) | 3.04 | 10.27 | -56.06 | 0 | 9 | -1 | 132 | 454.418 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 10.74 | -17.77 | 1 | 9 | 0 | 129 | 455.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 1.08 | -20.7 | 0 | 9 | 0 | 126 | 455.426 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 11.02 | -46.11 | 2 | 9 | 1 | 131 | 456.434 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 1.19 | -50.92 | 1 | 9 | 1 | 127 | 456.434 | 6 | ↓ |
