| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 25 | Yes |
None
| 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) | 3.67 | 8.74 | -1.79 | 1 | 3 | 0 | 33 | 343.511 | 0 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 8.54 | -31.28 | 2 | 3 | 1 | 34 | 344.519 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 4.053 | Bitter DB |
No pre-computed analogs available. Try a structural similarity search.
