| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2007 | 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) | 3.28 | 11.16 | -69.97 | 1 | 9 | 0 | 120 | 453.495 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 8.62 | -52.41 | 0 | 9 | -1 | 119 | 452.487 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 11.85 | -55.67 | 1 | 9 | 1 | 114 | 454.503 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 10.87 | -48.63 | 2 | 9 | 1 | 117 | 454.503 | 9 | ↓ |
