| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 23 | 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) | 1.06 | 7.6 | -42.53 | 3 | 5 | 0 | 85 | 345.708 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 6.59 | -45.85 | 2 | 5 | -1 | 81 | 344.7 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 6.61 | -47.24 | 2 | 5 | -1 | 81 | 344.7 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 7.6 | -41.69 | 3 | 5 | 0 | 85 | 345.708 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 8.06 | -75.66 | 4 | 5 | 1 | 87 | 346.716 | 3 | ↓ |
