In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2009 | 26 | Yes |
Popular Name: 2-[4-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]piperazin-1-yl]-N,N-dimethyl-acetamide 2-[4-[2-(3,4-dimethoxyanilino)-2…
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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) | -0.04 | 4.01 | -53.68 | 2 | 8 | 1 | 76 | 365.454 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.04 | 1.78 | -20.55 | 1 | 8 | 0 | 74 | 364.446 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.04 | 4.01 | -49.6 | 2 | 8 | 1 | 76 | 365.454 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.04 | 6.27 | -130.21 | 3 | 8 | 2 | 77 | 366.462 | 7 | ↓ |