| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 26 | 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) | 1.71 | 10.55 | -15.02 | 0 | 5 | 0 | 81 | 358.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 11.27 | -119.39 | 0 | 5 | -2 | 93 | 356.418 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 9.65 | -41.24 | 1 | 5 | -1 | 91 | 357.426 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 10.62 | -49.04 | 0 | 5 | -1 | 87 | 357.426 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 9.76 | -41.2 | 1 | 5 | -1 | 91 | 357.426 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.29 | 10.63 | -47.54 | 0 | 5 | -1 | 87 | 357.426 | 3 | ↓ |
