In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 2010 | 20 | Yes |
Popular Name: 1-[3-(3,5-dimethylphenoxy)propyl]-4-ethyl-piperazine 1-[3-(3,5-dimethylphenoxy)propyl…
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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) | 3.39 | 8.27 | -34.29 | 1 | 3 | 1 | 17 | 277.432 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 5.99 | -4.12 | 0 | 3 | 0 | 16 | 276.424 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 8.26 | -37.35 | 1 | 3 | 1 | 17 | 277.432 | 6 | ↓ |