| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 23 | No |
Popular Name: 2,4-dichloro-6-[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]phenol 2,4-dichloro-6-[5-(4-nitrophenyl…
| 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) | 4.58 | 8.3 | -36.11 | 1 | 7 | -1 | 110 | 350.141 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.58 | 8.06 | -103.1 | 0 | 7 | -2 | 109 | 349.133 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.58 | 7.3 | -33.41 | 1 | 7 | -1 | 106 | 350.141 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.58 | 7.53 | -8.79 | 2 | 7 | 0 | 108 | 351.149 | 3 | ↓ |
