In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2010 | 24 | Yes |
Popular Name: 1-(2-phenoxyethyl)-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine 1-(2-phenoxyethyl)-4-[3-(2,2,2-t…
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) | 3.10 | 7.52 | -41.2 | 1 | 4 | 1 | 26 | 347.401 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 7.53 | -38.8 | 1 | 4 | 1 | 26 | 347.401 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 5.26 | -7.23 | 0 | 4 | 0 | 25 | 346.393 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.