| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 29 | 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 | 5.76 | -11.06 | 3 | 6 | 0 | 89 | 432.307 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.04 | 5.6 | -50.95 | 1 | 6 | -1 | 88 | 431.299 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.04 | 5.6 | -48.44 | 1 | 6 | -1 | 88 | 431.299 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.07 | 6.56 | -43.51 | 2 | 6 | -1 | 92 | 431.299 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.07 | 6.52 | -47.13 | 2 | 6 | -1 | 92 | 431.299 | 5 | ↓ |
