In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | Yes |
Popular Name: 2-[[3-(aminomethyl)-6-methyl-2-pyridyl]oxy]-N,N-diethyl-ethanamine 2-[[3-(aminomethyl)-6-methyl-2-p…
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) | 1.07 | 3.65 | -97.42 | 4 | 4 | 2 | 54 | 239.363 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.07 | 3.23 | -30.75 | 3 | 4 | 1 | 53 | 238.355 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.07 | 1.14 | -41.67 | 3 | 4 | 1 | 53 | 238.355 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.07 | 1.08 | -5.63 | 2 | 4 | 0 | 51 | 237.347 | 7 | ↓ |