| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 17 | No |
Popular Name: 1-tetrahydrothiopyran-4-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-tetrahydrothiopyran-4-yl-2,3,4…
| 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) | 2.33 | 7.51 | -43.26 | 2 | 2 | 1 | 20 | 249.403 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 6.24 | -3.67 | 1 | 2 | 0 | 15 | 248.395 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
