In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 20 | No |
Popular Name: N-[3-(chloromethyl)-4,6-dimethyl-2-pyridyl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[3-(chloromethyl)-4,6-dimethyl…
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) | 3.64 | 10.93 | -39.13 | 1 | 3 | 1 | 21 | 298.882 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 11.48 | -86.48 | 2 | 3 | 2 | 22 | 299.89 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 9.21 | -25.05 | 1 | 3 | 1 | 21 | 298.882 | 7 | ↓ |