In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2010 | 18 | Yes |
Popular Name: N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-N'-methyl-ethane-1,2-diamine N-ethyl-N'-[(4-methoxy-3,5-dimet…
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) | 1.58 | 4.33 | -84.34 | 3 | 4 | 2 | 43 | 253.39 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 2.57 | -4.12 | 1 | 4 | 0 | 37 | 251.374 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 4.92 | -35.19 | 2 | 4 | 1 | 39 | 252.382 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.58 | 3.94 | -40.75 | 2 | 4 | 1 | 42 | 252.382 | 7 | ↓ |