| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 15 | 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) | 1.79 | 7.75 | -29.74 | 2 | 4 | 1 | 42 | 207.232 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 6.2 | -40.37 | 0 | 4 | -1 | 42 | 205.216 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 6.89 | -5.82 | 1 | 4 | 0 | 40 | 206.224 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
