| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 28 | 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) | 3.64 | 13.69 | -86.16 | 2 | 4 | 2 | 25 | 388.644 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 10.85 | -35.75 | 1 | 4 | 1 | 24 | 387.636 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 13.2 | -102.17 | 2 | 4 | 2 | 25 | 388.644 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.64 | 13.85 | -160.91 | 3 | 4 | 3 | 26 | 389.652 | 9 | ↓ |
