In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 21 | Yes |
Popular Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(2-aminoethyl)-1-piperidyl]ethanone 1-(4-acetylpiperazin-1-yl)-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) | -1.02 | 4.52 | -105.41 | 4 | 6 | 2 | 73 | 298.431 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.02 | 2.34 | -53.38 | 3 | 6 | 1 | 71 | 297.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.