In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 16 | Yes |
Popular Name: 3-oxo-3-(4-thiazol-2-ylpiperazin-1-yl)propanenitrile 3-oxo-3-(4-thiazol-2-ylpiperazin…
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) | -0.24 | 3.58 | -20.28 | 0 | 5 | 0 | 60 | 236.3 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.24 | 3.95 | -47.96 | 1 | 5 | 1 | 61 | 237.308 | 2 | ↓ |