In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 16 | Yes |
Popular Name: N',N'-dimethyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine N',N'-dimethyl-N-[(1S)-1-(4-meth…
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) | 2.52 | 5.88 | -42.63 | 2 | 2 | 1 | 20 | 239.408 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 7.14 | -36.62 | 2 | 2 | 1 | 16 | 239.408 | 6 | ↓ |