In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 22nd, 2009 | 19 | Yes |
Popular Name: N,N-dimethyl-N'-[1-(4-pyridylmethyl)-4-piperidyl]ethane-1,2-diamine N,N-dimethyl-N'-[1-(4-pyridylmet…
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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) | 0.66 | 2.87 | -41.09 | 2 | 4 | 1 | 36 | 263.409 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 3.92 | -42.34 | 2 | 4 | 1 | 33 | 263.409 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 4.17 | -36.82 | 2 | 4 | 1 | 33 | 263.409 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 5.36 | -115.42 | 3 | 4 | 2 | 37 | 264.417 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.66 | 7.61 | -204.97 | 4 | 4 | 3 | 38 | 265.425 | 6 | ↓ |