| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 21 | Yes |
Popular Name: 1-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(1,3,5-trimethylpyrazo…
| 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) | 2.19 | 7.66 | -44.51 | 2 | 4 | 1 | 38 | 285.415 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 6.41 | -6.61 | 1 | 4 | 0 | 33 | 284.407 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 7.79 | -84.49 | 3 | 4 | 2 | 39 | 286.423 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
