| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2009 | 31 | 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) | 3.67 | 11.52 | -75.72 | 1 | 6 | 0 | 74 | 422.525 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 8.99 | -58.82 | 0 | 6 | -1 | 73 | 421.517 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.67 | 10.7 | -54.29 | 2 | 6 | 1 | 71 | 423.533 | 8 | ↓ |
