| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 12 | 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) | 0.74 | 4.91 | -109.79 | 4 | 2 | 2 | 32 | 170.3 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 2.66 | -36.81 | 3 | 2 | 1 | 31 | 169.292 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 4.54 | -27.04 | 3 | 2 | 1 | 30 | 169.292 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
