| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2009 | 28 | 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) | 3.31 | 7.85 | -42.2 | 2 | 5 | 1 | 58 | 383.443 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 6.05 | -41.38 | 0 | 5 | -1 | 60 | 381.427 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 7.75 | -39.18 | 2 | 5 | 1 | 58 | 383.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 5.48 | -7.96 | 1 | 5 | 0 | 57 | 382.435 | 3 | ↓ |
