| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 17 | Yes |
Popular Name: 1-(2-isopropoxyethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(2-isopropoxyethyl)-2,3,4,5-te…
| 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) | 2.14 | 6.49 | -38.14 | 2 | 3 | 1 | 29 | 235.351 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 5.24 | -3.31 | 1 | 3 | 0 | 24 | 234.343 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
