| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 28th, 2007 | 30 | 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) | 3.55 | 9.55 | -50.7 | 0 | 7 | -1 | 95 | 438.51 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 7.66 | -24.3 | 1 | 7 | 0 | 93 | 439.518 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 8.66 | -14.62 | 0 | 7 | 0 | 89 | 439.518 | 6 | ↓ |
