| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 12th, 2010 | 24 | No |
Popular Name: 4-[5-(3,5-dinitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one 4-[5-(3,5-dinitrophenyl)-1,2-dih…
| 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) | 2.99 | 6.78 | -9.39 | 2 | 10 | 0 | 153 | 327.256 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 7.82 | -38.61 | 1 | 10 | -1 | 152 | 326.248 | 3 | ↓ |
