| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 32 | 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) | 3.15 | 13 | -68.35 | 1 | 7 | 0 | 82 | 432.524 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 10.48 | -55.2 | 0 | 7 | -1 | 81 | 431.516 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 11.69 | -55.42 | 2 | 7 | 1 | 79 | 433.532 | 7 | ↓ |
