| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2008 | 32 | No |
None
| 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) | 2.45 | 6.85 | -31.28 | 1 | 8 | 0 | 89 | 440.496 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 4.49 | -42.41 | 0 | 8 | -1 | 87 | 439.488 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 6.86 | -52.53 | 1 | 8 | 0 | 89 | 440.496 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 6.17 | -50.48 | 2 | 8 | 1 | 86 | 441.504 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 3.71 | -11.8 | 1 | 8 | 0 | 85 | 440.496 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 6.06 | -48.7 | 2 | 8 | 1 | 86 | 441.504 | 6 | ↓ |
