| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 30 | 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) | 1.25 | -1.1 | -45.15 | 2 | 7 | 1 | 87 | 429.566 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | -1.23 | -52.93 | 1 | 7 | 1 | 84 | 429.566 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 0.66 | -1.12 | -117.73 | 2 | 7 | 2 | 85 | 430.574 | 9 | ↓ |
