| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 36 | 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) | 3.96 | 8.95 | -16.7 | 2 | 8 | 0 | 101 | 504.974 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 9.52 | -44.67 | 0 | 8 | -1 | 99 | 503.966 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 9.2 | -55.79 | 0 | 8 | -1 | 99 | 503.966 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 10.09 | -40.62 | 1 | 8 | -1 | 103 | 503.966 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 9.71 | -52.72 | 1 | 8 | -1 | 103 | 503.966 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 9.29 | -44.41 | 3 | 8 | 1 | 102 | 505.982 | 7 | ↓ |
