| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 35 | Yes |
| 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) | 5.17 | 0.6 | -55.67 | 0 | 8 | -1 | 96 | 459.537 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.17 | 0.76 | -68.79 | 1 | 8 | 0 | 97 | 460.545 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.17 | 0.97 | -148.87 | 3 | 8 | 2 | 100 | 462.561 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.17 | 0.81 | -74.72 | 2 | 8 | 1 | 98 | 461.553 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.17 | 0.66 | -40.29 | 1 | 8 | 0 | 97 | 460.545 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.17 | 0.91 | -124.04 | 2 | 8 | 1 | 98 | 461.553 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.17 | 0.74 | -69.73 | 1 | 8 | 0 | 97 | 460.545 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.17 | 0.83 | -73.13 | 2 | 8 | 1 | 98 | 461.553 | 7 | ↓ |
