| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 36 | 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) | 4.68 | 11.4 | -58.28 | 0 | 7 | -1 | 92 | 501.515 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.13 | 10.24 | -25.74 | 1 | 7 | 0 | 89 | 502.523 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 11.29 | -15.75 | 0 | 7 | 0 | 86 | 502.523 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.14 | 6.51 | -11.87 | 0 | 7 | 0 | 68 | 304.35 | 2 | ↓ |
