| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 16 | Yes |
Popular Name: N,N,N'-trimethyl-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine N,N,N'-trimethyl-N'-[(4-methylsu…
| 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) | 2.21 | 7.05 | -38.5 | 1 | 2 | 1 | 8 | 239.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 4.53 | -3.05 | 0 | 2 | 0 | 6 | 238.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 7.18 | -37.19 | 1 | 2 | 1 | 8 | 239.408 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 9.36 | -113.1 | 2 | 2 | 2 | 9 | 240.416 | 6 | ↓ |
