In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 23 | Yes |
Popular Name: N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]ethane-1,2-diamine N-benzyl-N-[2-(3,4-dimethoxyphen…
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) | 2.00 | 6.01 | -55.04 | 3 | 4 | 1 | 49 | 315.437 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.00 | 5.61 | -7.05 | 2 | 4 | 0 | 48 | 314.429 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 8.2 | -139.14 | 4 | 4 | 2 | 51 | 316.445 | 9 | ↓ |