| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 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) | 3.43 | 6.21 | -12 | 3 | 7 | 0 | 102 | 446.894 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 6.08 | -56.21 | 1 | 7 | -1 | 101 | 445.886 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 6.25 | -51.73 | 1 | 7 | -1 | 101 | 445.886 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 7.03 | -45.2 | 2 | 7 | -1 | 105 | 445.886 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.43 | 6.99 | -49.48 | 2 | 7 | -1 | 105 | 445.886 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.43 | 6.26 | -15.43 | 3 | 7 | 0 | 102 | 446.894 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 7.39 | -43.06 | 4 | 7 | 1 | 103 | 447.902 | 3 | ↓ |
