| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 10 | No |
Popular Name: (3aR,7aR)-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazole-2-thione (3aR,7aR)-3a,4,5,6,7,7a-hexahydr…
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) | 1.74 | 1.51 | -10.08 | 1 | 2 | 0 | 21 | 157.238 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1020451A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
