| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2009 | 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) | 3.83 | 10.47 | -35.32 | 1 | 7 | 0 | 75 | 461.562 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 8.14 | -46.8 | 0 | 7 | -1 | 74 | 460.554 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 7.5 | -14.92 | 1 | 7 | 0 | 71 | 461.562 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 10.46 | -61.43 | 1 | 7 | 0 | 75 | 461.562 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 9.82 | -55.69 | 2 | 7 | 1 | 72 | 462.57 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.83 | 9.84 | -60.38 | 2 | 7 | 1 | 72 | 462.57 | 6 | ↓ |
