| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 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) | 2.68 | 8.68 | -11.62 | 2 | 9 | 0 | 111 | 393.403 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 7.7 | -36.08 | 1 | 9 | -1 | 118 | 392.395 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.85 | 8.43 | -33.61 | 3 | 9 | 1 | 116 | 394.411 | 6 | ↓ |
