| 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) | 3.41 | 10.54 | -57.49 | 0 | 7 | -1 | 92 | 457.506 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 9.92 | -13.12 | 1 | 7 | 0 | 89 | 458.514 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 10.32 | -13.19 | 0 | 7 | 0 | 86 | 458.514 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.82 | 10.6 | -49.59 | 1 | 7 | 1 | 87 | 459.522 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 10.2 | -44.59 | 2 | 7 | 1 | 90 | 459.522 | 8 | ↓ |
