| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 33 | 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) | 4.37 | 9.29 | -12.42 | 2 | 6 | 0 | 82 | 476.989 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 10.49 | -42.34 | 0 | 6 | -1 | 81 | 475.981 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 10.02 | -53.74 | 0 | 6 | -1 | 81 | 475.981 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.37 | 10.27 | -36.53 | 1 | 6 | -1 | 85 | 475.981 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 10.06 | -50.01 | 1 | 6 | -1 | 85 | 475.981 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.37 | 9.58 | -38.46 | 3 | 6 | 1 | 83 | 477.997 | 5 | ↓ |
