| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2009 | 29 | Yes |
Popular Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-4-(4H-1,2,4-triazol-3-ylsulfanylmethyl)benzamide N-[6-(3-oxopiperazin-1-yl)-3-pyr…
| 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) | 1.64 | 4.6 | -25.24 | 3 | 9 | 0 | 116 | 409.475 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 4.43 | -50.06 | 2 | 9 | -1 | 114 | 408.467 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 5.08 | -56.56 | 4 | 9 | 1 | 117 | 410.483 | 6 | ↓ |
