| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 33 | 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) | 3.62 | 10.82 | -53.37 | 0 | 6 | -1 | 83 | 445.47 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.06 | 10.13 | -17.98 | 1 | 6 | 0 | 80 | 446.478 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 0.41 | -10.49 | 0 | 6 | 0 | 76 | 446.478 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | 10.43 | -47.15 | 2 | 6 | 1 | 81 | 447.486 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 0.54 | -44.69 | 1 | 6 | 1 | 77 | 447.486 | 8 | ↓ |
