In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 26 | Yes |
Popular Name: 1-[3-(2-benzyl-4-chloro-phenoxy)propyl]-4-ethyl-piperazine 1-[3-(2-benzyl-4-chloro-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) | 5.13 | 12.15 | -36.52 | 1 | 3 | 1 | 17 | 373.948 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.13 | 9.84 | -4.25 | 0 | 3 | 0 | 16 | 372.94 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.13 | 12.15 | -42.49 | 1 | 3 | 1 | 17 | 373.948 | 8 | ↓ |