| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 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) | 5.33 | -4.4 | -16.74 | 2 | 6 | 0 | 80 | 407.495 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.33 | -3.83 | -44.21 | 1 | 6 | -1 | 82 | 406.487 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.33 | -4.33 | -32.46 | 3 | 6 | 1 | 81 | 408.503 | 5 | ↓ |
