In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2010 | 21 | Yes |
Popular Name: 3-(5-isopropyl-2-methyl-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(5-isopropyl-2-methyl-phenoxy)…
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 | 7.33 | -49.68 | 2 | 4 | 1 | 46 | 291.415 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 6.04 | -8.27 | 1 | 4 | 0 | 42 | 290.407 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.