| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2008 | 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) | 5.75 | 15.04 | -68.59 | 1 | 6 | 0 | 74 | 490.644 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.75 | 12.72 | -58.25 | 0 | 6 | -1 | 73 | 489.636 | 12 | ↓ |
| Mid Mid (pH 6-8) | 6.20 | 13.69 | -58.16 | 2 | 6 | 1 | 71 | 491.652 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.17 | 14.87 | -56.56 | 1 | 6 | 1 | 68 | 491.652 | 12 | ↓ |
