In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 19 | Yes |
Popular Name: N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethyl-ethane-1,2-diamine N'-[(3,4-dimethoxyphenyl)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) | 1.57 | 4.95 | -41.21 | 2 | 4 | 1 | 38 | 267.393 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 5.65 | -40.29 | 2 | 4 | 1 | 35 | 267.393 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.57 | 7 | -123.37 | 3 | 4 | 2 | 40 | 268.401 | 9 | ↓ |