| 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 | 6.04 | -13.43 | 3 | 6 | 0 | 89 | 432.307 | 5 | ↓ |
| Ref Reference (pH 7) | 4.07 | 5.38 | -11.68 | 3 | 6 | 0 | 89 | 432.307 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.04 | 6.18 | -41.64 | 1 | 6 | -1 | 88 | 431.299 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.04 | 5.72 | -48.69 | 1 | 6 | -1 | 88 | 431.299 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.07 | 6.23 | -36.34 | 2 | 6 | -1 | 92 | 431.299 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.07 | 6.17 | -48.08 | 2 | 6 | -1 | 92 | 431.299 | 5 | ↓ |
