| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | 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) | 5.44 | 9.16 | -6.76 | 1 | 2 | 0 | 33 | 275.351 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.44 | 9.93 | -49.87 | 0 | 2 | -1 | 35 | 274.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.44 | 9.12 | -38.93 | 0 | 2 | -1 | 35 | 274.343 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.44 | 9.56 | -27.2 | 2 | 2 | 1 | 34 | 276.359 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.44 | 8.78 | -33.16 | 2 | 2 | 1 | 34 | 276.359 | 3 | ↓ |
