| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 1st, 2009 | 24 | No |
Popular Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]pyrazine-2-carboxamide N-[5-(4-allyl-5-thioxo-1H-1,2,4-…
| 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) | 1.76 | 6.08 | -51.14 | 1 | 8 | -1 | 98 | 358.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 4.9 | -94.97 | 0 | 8 | -2 | 105 | 357.424 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 6.24 | -18.86 | 2 | 8 | 0 | 101 | 359.44 | 5 | ↓ |
