In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 21 | Yes |
Popular Name: (1S)-N,N-dimethyl-N'-[(1S)-1-(o-tolyl)ethyl]-1-phenyl-ethane-1,2-diamine (1S)-N,N-dimethyl-N'-[(1S)-1-(o-…
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) | 4.07 | 11.04 | -35.58 | 2 | 2 | 1 | 16 | 283.439 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 8.74 | -2.77 | 1 | 2 | 0 | 15 | 282.431 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.07 | 11.49 | -124.65 | 3 | 2 | 2 | 21 | 284.447 | 6 | ↓ |