| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 33 | No |
None
| 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 | 11.64 | -12.18 | 1 | 5 | 0 | 71 | 444.506 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 12.33 | -17.87 | 0 | 5 | 0 | 67 | 444.506 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.99 | 11.61 | -54.63 | 2 | 5 | 1 | 72 | 445.514 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 12.6 | -52.47 | 1 | 5 | 1 | 69 | 445.514 | 6 | ↓ |
