| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 29 | 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) | 1.27 | 7.03 | -73.2 | 1 | 7 | 0 | 87 | 399.422 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 4.49 | -56.88 | 0 | 7 | -1 | 86 | 398.414 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 5.91 | -61.4 | 2 | 7 | 1 | 84 | 400.43 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 6.87 | -66.53 | 1 | 7 | 1 | 81 | 400.43 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.71 | 6.18 | -128.97 | 3 | 7 | 2 | 85 | 401.438 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 7.15 | -130.84 | 2 | 7 | 2 | 82 | 401.438 | 7 | ↓ |
