| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 20 | Yes |
Popular Name: 1-[(1-isopropylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1-isopropylpyrazol-3-yl)meth…
| 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) | 2.24 | 7.92 | -44.93 | 2 | 4 | 1 | 38 | 271.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 6.67 | -7.82 | 1 | 4 | 0 | 33 | 270.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
