| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 36 | 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) | 4.50 | 12.3 | -67.65 | 1 | 7 | 0 | 87 | 505.64 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.50 | 9.43 | -58.05 | 0 | 7 | -1 | 86 | 504.632 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.50 | 10.94 | -47.48 | 2 | 7 | 1 | 84 | 506.648 | 10 | ↓ |
