| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 8 | Yes |
| 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) | 0.11 | 2.51 | -103.08 | 3 | 2 | 2 | 21 | 114.192 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.11 | -2.18 | -1.35 | 1 | 2 | 0 | 15 | 112.176 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.11 | -0.5 | -34.75 | 2 | 2 | 1 | 20 | 113.184 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.11 | 0.84 | -31.13 | 2 | 2 | 1 | 16 | 113.184 | 1 | ↓ |
