In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 17 | Yes |
Popular Name: (4-methylsulfonylpiperazin-1-yl)-(1H-triazol-4-yl)methanone (4-methylsulfonylpiperazin-1-yl)…
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) | -1.27 | -1.48 | -15 | 1 | 8 | 0 | 99 | 259.291 | 2 | ↓ |
Mid Mid (pH 6-8) | -1.27 | -1.5 | -41.25 | 0 | 8 | -1 | 98 | 258.283 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.