| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 20 | Yes |
Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3,5-dimethyl-1H-pyrazol-4-yl)-(…
| 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) | 1.20 | 4.88 | -50.71 | 3 | 5 | 1 | 66 | 271.344 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 3.62 | -9.8 | 2 | 5 | 0 | 61 | 270.336 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
