| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2008 | 28 | 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) | 3.57 | 8.23 | -29.81 | 1 | 5 | 0 | 61 | 402.853 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 8.35 | -49.28 | 1 | 5 | 0 | 61 | 402.853 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 5.84 | -42.89 | 0 | 5 | -1 | 60 | 401.845 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 7.51 | -46.28 | 2 | 5 | 1 | 58 | 403.861 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 5.42 | -9.78 | 1 | 5 | 0 | 57 | 402.853 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.57 | 7.43 | -40.51 | 2 | 5 | 1 | 58 | 403.861 | 3 | ↓ |
