| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 34 | 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) | 2.63 | 8.84 | -25.14 | 2 | 8 | 0 | 104 | 500.024 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.45 | 7.76 | -54.41 | 1 | 8 | -1 | 111 | 499.016 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.63 | 9.22 | -58.61 | 3 | 8 | 1 | 106 | 501.032 | 10 | ↓ |
