| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 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) | -0.29 | 0.29 | -40.03 | 5 | 4 | 1 | 76 | 194.258 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.29 | -1.12 | -4.78 | 4 | 4 | 0 | 71 | 193.25 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 0.77 | -87.91 | 6 | 4 | 2 | 77 | 195.266 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
