| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 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) | 1.58 | 5.32 | -61.56 | 0 | 8 | -1 | 99 | 432.456 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | -1.2 | -43.58 | 2 | 8 | 1 | 97 | 434.472 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 7.67 | -69.8 | 1 | 8 | 0 | 100 | 433.464 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.03 | 8.15 | -112.79 | 3 | 8 | 2 | 99 | 435.48 | 5 | ↓ |
