| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2007 | 32 | 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) | 3.72 | 5.47 | -14.71 | 3 | 7 | 0 | 99 | 427.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 6.32 | -55.27 | 1 | 7 | -1 | 98 | 426.452 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 6.29 | -59.52 | 1 | 7 | -1 | 98 | 426.452 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 6.24 | -37.51 | 2 | 7 | -1 | 102 | 426.452 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 6.15 | -54.33 | 2 | 7 | -1 | 102 | 426.452 | 5 | ↓ |
