| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2007 | 32 | No |
| 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) | 2.61 | 8.37 | -60.21 | 0 | 7 | -1 | 92 | 429.452 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 8.58 | -14.63 | 0 | 7 | 0 | 86 | 430.46 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 8.33 | -18.11 | 1 | 7 | 0 | 89 | 430.46 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 8.61 | -53 | 2 | 7 | 1 | 90 | 431.468 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.02 | 8.85 | -45.45 | 1 | 7 | 1 | 87 | 431.468 | 7 | ↓ |
