| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 28 | 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) | 3.16 | 6.55 | -14.95 | 2 | 6 | 0 | 78 | 395.484 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 6.99 | -54.98 | 0 | 6 | -1 | 77 | 394.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 7.19 | -58.22 | 0 | 6 | -1 | 77 | 394.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.55 | -41.65 | 1 | 6 | -1 | 81 | 394.476 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 7.31 | -54.86 | 1 | 6 | -1 | 81 | 394.476 | 6 | ↓ |
