| 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) | 3.03 | 4.71 | -13.06 | 3 | 6 | 0 | 89 | 381.407 | 4 | ↓ |
| Ref Reference (pH 7) | 3.03 | 5.08 | -14.27 | 3 | 6 | 0 | 89 | 381.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 5.46 | -51.72 | 2 | 6 | -1 | 92 | 380.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 4.64 | -53.37 | 1 | 6 | -1 | 88 | 380.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 4.63 | -58.96 | 1 | 6 | -1 | 88 | 380.399 | 4 | ↓ |
