| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2008 | 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) | 4.54 | 13.29 | -19.53 | 2 | 5 | 0 | 78 | 452.583 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.88 | 11.69 | -9.61 | 1 | 5 | 0 | 78 | 452.583 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.06 | 10.69 | -9.87 | 1 | 5 | 0 | 78 | 452.583 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.88 | 11.97 | -46.69 | 2 | 5 | 1 | 79 | 453.591 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.50 | 12.28 | -49.62 | 2 | 5 | 1 | 79 | 453.591 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.06 | 10.98 | -48.64 | 2 | 5 | 1 | 79 | 453.591 | 6 | ↓ |
