| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2006 | 35 | 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) | 2.74 | 8.73 | -41.48 | 2 | 9 | 0 | 115 | 511.991 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 8.82 | -85.05 | 1 | 9 | -1 | 117 | 510.983 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.74 | 8.53 | -60.08 | 3 | 9 | 1 | 116 | 512.999 | 6 | ↓ |
