| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2009 | 27 | 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) | 2.75 | 10.61 | -8.14 | 2 | 5 | 0 | 67 | 395.509 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 9.01 | -39.38 | 1 | 5 | -1 | 73 | 394.501 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 7.82 | -22.17 | 1 | 5 | 0 | 70 | 395.509 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.72 | 7.85 | -26.34 | 1 | 5 | 0 | 78 | 395.509 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.72 | 7.66 | -60.61 | 0 | 5 | -1 | 76 | 394.501 | 2 | ↓ |
