| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 30 | No |
None
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) | 3.25 | 5.82 | -44.18 | 3 | 6 | 1 | 78 | 429.924 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 4.11 | -44.23 | 1 | 6 | -1 | 80 | 427.908 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 6.39 | -30.01 | 2 | 6 | 0 | 81 | 428.916 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 5.89 | -41.06 | 3 | 6 | 1 | 78 | 429.924 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 3.55 | -9.43 | 2 | 6 | 0 | 77 | 428.916 | 5 | ↓ |
