| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2007 | 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) | 4.16 | 12.55 | -48.07 | 2 | 5 | 1 | 62 | 439.963 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 2.29 | -53.64 | 2 | 5 | 1 | 62 | 439.963 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 1.58 | -44.5 | 1 | 5 | 1 | 58 | 439.963 | 9 | ↓ |
