In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 20 | Yes |
Popular Name: N'-benzyl-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine N'-benzyl-N'-methyl-N-[(1-methyl…
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) | 1.36 | 8.38 | -81.73 | 3 | 4 | 2 | 36 | 274.412 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.36 | 7.93 | -43.75 | 2 | 4 | 1 | 34 | 273.404 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.36 | 9.28 | -114.87 | 3 | 4 | 2 | 39 | 274.412 | 8 | ↓ |