| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 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) | 3.84 | 6.01 | -14.41 | 3 | 7 | 0 | 99 | 427.46 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 6.37 | -60.91 | 1 | 7 | -1 | 98 | 426.452 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 6.74 | -57.8 | 1 | 7 | -1 | 98 | 426.452 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 6.97 | -51.76 | 2 | 7 | -1 | 102 | 426.452 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.84 | 6.78 | -55.3 | 2 | 7 | -1 | 102 | 426.452 | 6 | ↓ |
