| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2006 | 16 | 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) | 3.33 | 5.5 | -9.85 | 0 | 3 | 0 | 53 | 213.212 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 7.12 | -55.36 | 0 | 3 | -1 | 53 | 213.212 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 7.16 | -55.41 | 0 | 3 | -1 | 53 | 213.212 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 3.19 | -15.47 | 0 | 3 | 0 | 47 | 214.22 | 4 | ↓ |
