| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 34 | 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) | 4.19 | 12.57 | -69.14 | 1 | 7 | 0 | 82 | 501.414 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 12.9 | -54.56 | 1 | 7 | 1 | 76 | 502.422 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.63 | 13.06 | -45.53 | 2 | 7 | 1 | 79 | 502.422 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.63 | 13.49 | -87.71 | 3 | 7 | 2 | 81 | 503.43 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 13.34 | -84.65 | 2 | 7 | 2 | 77 | 503.43 | 7 | ↓ |
