| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 35 | No |
None
| 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) | 3.51 | 0.16 | -17.38 | 1 | 7 | 0 | 88 | 472.541 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 0.02 | -24.13 | 0 | 7 | 0 | 85 | 472.541 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.51 | 0.27 | -45.3 | 2 | 7 | 1 | 90 | 473.549 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.93 | 0.13 | -52.48 | 1 | 7 | 1 | 87 | 473.549 | 9 | ↓ |
