| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2008 | 31 | 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) | 2.44 | 8.44 | -54.25 | 0 | 7 | -1 | 88 | 428.436 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 6.15 | -30.55 | 1 | 7 | 0 | 85 | 429.444 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 7.13 | -25.2 | 0 | 7 | 0 | 82 | 429.444 | 9 | ↓ |
