| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 26th, 2007 | 35 | 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) | 3.33 | 9.94 | -45.1 | 0 | 8 | -1 | 105 | 484.513 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | -2.44 | -20.98 | 0 | 8 | 0 | 98 | 485.521 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 8.55 | -29.46 | 1 | 8 | 0 | 102 | 485.521 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.78 | 8.84 | -58.99 | 2 | 8 | 1 | 103 | 486.529 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | -2.33 | -49.91 | 1 | 8 | 1 | 99 | 486.529 | 4 | ↓ |
