| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 31 | 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) | 2.34 | 7.78 | -41.58 | 4 | 7 | 1 | 91 | 418.521 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 7.28 | -14.82 | 3 | 7 | 0 | 90 | 417.513 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 7.28 | -14.44 | 3 | 7 | 0 | 90 | 417.513 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 8.37 | -59.65 | 4 | 7 | 1 | 95 | 418.521 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 8.93 | -115.53 | 5 | 7 | 2 | 96 | 419.529 | 3 | ↓ |
