In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 20 | Yes |
Popular Name: N',N'-dimethyl-N-propyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethane-1,2-diamine N',N'-dimethyl-N-propyl-N-(1,2,3…
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) | 2.99 | 7.64 | -34.09 | 2 | 3 | 1 | 20 | 276.448 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 5.18 | -3.05 | 1 | 3 | 0 | 19 | 275.44 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 7.27 | -33.07 | 2 | 3 | 1 | 20 | 276.448 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.99 | 9.74 | -110.51 | 3 | 3 | 2 | 21 | 277.456 | 7 | ↓ |