| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2009 | 39 | 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) | 5.00 | 14.61 | -50.64 | 1 | 8 | 0 | 93 | 538.685 | 16 | ↓ |
| Hi High (pH 8-9.5) | 5.00 | 12.4 | -41.18 | 0 | 8 | -1 | 91 | 537.677 | 16 | ↓ |
| Lo Low (pH 4.5-6) | 5.00 | 13.48 | -53.46 | 2 | 8 | 1 | 90 | 539.693 | 16 | ↓ |
