In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 23 | Yes |
Popular Name: 1-[4-[4-(3-thienylmethyl)piperazine-1-carbonyl]-1-piperidyl]ethanone 1-[4-[4-(3-thienylmethyl)piperaz…
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) | 0.71 | 5.89 | -17.4 | 0 | 5 | 0 | 44 | 335.473 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.71 | 8.13 | -61.62 | 1 | 5 | 1 | 45 | 336.481 | 3 | ↓ |