| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 14 | 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) | 1.44 | 0.66 | -42.13 | 3 | 4 | 1 | 55 | 190.226 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | -1.04 | -6.8 | 2 | 4 | 0 | 50 | 189.218 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 1.61 | -94.27 | 4 | 4 | 2 | 56 | 191.234 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
