| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 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) | 4.07 | 13.38 | -97.74 | 3 | 8 | 2 | 70 | 429.613 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.07 | 10.98 | -10.3 | 1 | 8 | 0 | 68 | 427.597 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.07 | 13.15 | -41.74 | 2 | 8 | 1 | 69 | 428.605 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.07 | 11.24 | -31.79 | 2 | 8 | 1 | 69 | 428.605 | 5 | ↓ |
