| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 13 | No |
Popular Name: (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-…
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) | 2.91 | 3.95 | -11.51 | 1 | 2 | 0 | 37 | 196.271 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 4.63 | -4.69 | 0 | 2 | 0 | 34 | 196.271 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.82e-01 g/l | DrugBank-experimental |
No pre-computed analogs available. Try a structural similarity search.
