| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2010 | 28 | 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) | 4.02 | 7.79 | -20.52 | 1 | 6 | 0 | 73 | 415.54 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.02 | 8.21 | -59.74 | 0 | 6 | -1 | 75 | 414.532 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.02 | 8.23 | -38.17 | 2 | 6 | 1 | 74 | 416.548 | 5 | ↓ |
