| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 25 | 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) | 3.29 | 5.11 | -12.1 | 3 | 6 | 0 | 91 | 333.347 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 5.88 | -54.34 | 2 | 6 | -1 | 94 | 332.339 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.29 | 5.46 | -37.62 | 4 | 6 | 1 | 92 | 334.355 | 4 | ↓ |
