| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2008 | 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) | 3.79 | 12.69 | -51.54 | 0 | 9 | -1 | 128 | 486.504 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 11.26 | -26.1 | 1 | 9 | 0 | 126 | 487.512 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 12.61 | -19.94 | 0 | 9 | 0 | 122 | 487.512 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.23 | 11.53 | -65.44 | 2 | 9 | 1 | 127 | 488.52 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.20 | 12.89 | -61.15 | 1 | 9 | 1 | 124 | 488.52 | 9 | ↓ |
