In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2010 | 20 | Yes |
Popular Name: 1-piperazin-1-yl-3-(2,4,5-trichlorophenoxy)propan-1-one 1-piperazin-1-yl-3-(2,4,5-trichl…
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) | 2.80 | 6.2 | -49.33 | 2 | 4 | 1 | 46 | 338.642 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 4.91 | -6.81 | 1 | 4 | 0 | 42 | 337.634 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.