| 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 | 6.51 | -13.78 | 2 | 6 | 0 | 78 | 381.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 6.76 | -57.24 | 0 | 6 | -1 | 77 | 380.399 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 6.97 | -44.15 | 0 | 6 | -1 | 77 | 380.399 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.41 | -43.35 | 1 | 6 | -1 | 81 | 380.399 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 7.28 | -52.82 | 1 | 6 | -1 | 81 | 380.399 | 6 | ↓ |
