In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 17 | Yes |
Popular Name: N,N-dimethyl-N'-[2-[methyl(2-pyridylmethyl)amino]ethyl]ethane-1,2-diamine N,N-dimethyl-N'-[2-[methyl(2-pyr…
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 | 5.23 | -85.18 | 3 | 4 | 2 | 34 | 238.379 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.04 | 2.76 | -35.07 | 2 | 4 | 1 | 33 | 237.371 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.04 | 2.89 | -35.91 | 2 | 4 | 1 | 33 | 237.371 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.04 | 4.98 | -168.41 | 4 | 4 | 3 | 38 | 239.387 | 8 | ↓ |