| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 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) | 2.40 | 6.8 | -15.81 | 3 | 9 | 0 | 114 | 392.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 6.45 | -36.03 | 2 | 9 | -1 | 121 | 391.411 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 7.18 | -38.75 | 4 | 9 | 1 | 119 | 393.427 | 5 | ↓ |
