| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 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) | 2.18 | 6.8 | -72.53 | 2 | 8 | 0 | 104 | 440.496 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 4.26 | -61.57 | 1 | 8 | -1 | 102 | 439.488 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 6.88 | -49.4 | 2 | 8 | 1 | 98 | 441.504 | 8 | ↓ |
