| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2009 | 30 | 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) | 1.99 | 7.78 | -27.46 | 3 | 7 | 0 | 114 | 493.741 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 7.78 | -53.55 | 2 | 7 | -1 | 117 | 492.733 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 6.56 | -103.65 | 1 | 7 | -2 | 113 | 491.725 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 6.62 | -45.11 | 2 | 7 | -1 | 110 | 492.733 | 3 | ↓ |
