In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 23 | Yes |
Popular Name: N,N,N'-trimethyl-N'-[(3R)-1-[(4-methylsulfanylphenyl)methyl]-3-piperidyl]propane-1,3-diamine N,N,N'-trimethyl-N'-[(3R)-1-[(4-…
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) | 2.90 | 8.46 | -36.01 | 1 | 3 | 1 | 11 | 336.569 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 10.74 | -102.57 | 2 | 3 | 2 | 12 | 337.577 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 12.97 | -194.19 | 3 | 3 | 3 | 13 | 338.585 | 8 | ↓ |