| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2009 | 28 | No |
| 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) | 2.54 | 10.65 | -105.87 | 1 | 9 | -2 | 103 | 434.576 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 9.58 | -165.74 | 0 | 9 | -3 | 110 | 433.568 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 10.97 | -33.02 | 3 | 9 | 0 | 109 | 436.592 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 10.81 | -65.53 | 2 | 9 | -1 | 106 | 435.584 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 10.81 | -64.15 | 2 | 9 | -1 | 106 | 435.584 | 8 | ↓ |
