| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 25 | No |
| 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) | -0.37 | 9.88 | -66.18 | 1 | 8 | 1 | 103 | 344.443 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.37 | 7.65 | -22.66 | 0 | 8 | 0 | 102 | 343.435 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.37 | 10.31 | -110.41 | 2 | 8 | 2 | 104 | 345.451 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
