In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 27 | Yes |
Popular Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone 1-[4-[(3-fluoro-4-methoxy-phenyl…
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) | 2.94 | 7.31 | -15.29 | 0 | 5 | 0 | 42 | 372.44 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 9.51 | -59.26 | 1 | 5 | 1 | 43 | 373.448 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.