| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2013 | 27 | Yes |
Popular Name: (2,5-diphenylpyrazol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (2,5-diphenylpyrazol-3-yl)-(4-me…
None
| 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) | 3.17 | 12.26 | -46.06 | 1 | 5 | 1 | 43 | 361.469 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 10.08 | -11.32 | 0 | 5 | 0 | 41 | 360.461 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.