| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 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) | 4.38 | 8.93 | -15.27 | 2 | 6 | 0 | 82 | 444.922 | 4 | ↓ |
| Ref Reference (pH 7) | 4.38 | 8.84 | -12.83 | 2 | 6 | 0 | 82 | 444.922 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.36 | 9.84 | -53.76 | 0 | 6 | -1 | 81 | 443.914 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.36 | 9.85 | -49.58 | 0 | 6 | -1 | 81 | 443.914 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.38 | 9.7 | -41.89 | 1 | 6 | -1 | 85 | 443.914 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.38 | 9.61 | -50.24 | 1 | 6 | -1 | 85 | 443.914 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.38 | 9.36 | -41.13 | 3 | 6 | 1 | 83 | 445.93 | 4 | ↓ |
