| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 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) | 4.04 | 12.87 | -67.45 | 1 | 6 | 0 | 74 | 436.552 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.04 | 10.64 | -54.38 | 0 | 6 | -1 | 73 | 435.544 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.04 | 11.58 | -53.73 | 2 | 6 | 1 | 71 | 437.56 | 9 | ↓ |
