| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 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) | 2.62 | -0.26 | -14.84 | 4 | 7 | 0 | 108 | 410.348 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | -2.78 | -40.72 | 3 | 7 | -1 | 114 | 409.34 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | -0.63 | -48.69 | 5 | 7 | 1 | 113 | 411.356 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | -1.78 | -38.28 | 5 | 7 | 1 | 113 | 411.356 | 5 | ↓ |
