| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 29 | No |
Popular Name: 2-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]thio]-1-(4-chloro-3-nitro-phenyl)ethanone 2-[[3-(4-tert-butylphenyl)-1H-1,…
| 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) | 5.84 | 12.68 | -25.76 | 1 | 7 | 0 | 104 | 430.917 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.84 | 12.52 | -46.16 | 0 | 7 | -1 | 103 | 429.909 | 7 | ↓ |
