| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 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) | 4.15 | 5.44 | -12.9 | 3 | 6 | 0 | 89 | 397.862 | 4 | ↓ |
| Ref Reference (pH 7) | 4.15 | 5.23 | -9.62 | 3 | 6 | 0 | 89 | 397.862 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 5.59 | -49.11 | 1 | 6 | -1 | 88 | 396.854 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 5.83 | -47.7 | 1 | 6 | -1 | 88 | 396.854 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 6.18 | -34.05 | 2 | 6 | -1 | 92 | 396.854 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.15 | 5.99 | -45.75 | 2 | 6 | -1 | 92 | 396.854 | 4 | ↓ |
