| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 29 | Yes |
| 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) | 3.24 | 9.58 | -100.99 | 4 | 5 | 2 | 53 | 402.627 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 8.6 | -39.3 | 3 | 5 | 1 | 49 | 401.619 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 10.23 | -102.34 | 4 | 5 | 2 | 50 | 402.627 | 8 | ↓ |
