| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 26th, 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) | 4.20 | 11.18 | -62.4 | 0 | 6 | -1 | 79 | 454.502 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | -0.25 | -24.05 | 0 | 6 | 0 | 72 | 455.51 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.64 | -0.55 | -28.12 | 1 | 6 | 0 | 76 | 455.51 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 3 | -13.52 | 1 | 7 | 0 | 80 | 328.372 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 4.99 | -48.27 | 2 | 7 | 1 | 82 | 329.38 | 4 | ↓ |
