In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 19 | Yes |
Popular Name: (1S)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (1S)-1-(3-methoxyphenyl)-N,N-dim…
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) | 2.32 | 5.96 | -40.44 | 2 | 3 | 1 | 26 | 277.31 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 3.96 | -4.58 | 1 | 3 | 0 | 24 | 276.302 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.32 | 7.27 | -124.86 | 3 | 3 | 2 | 30 | 278.318 | 7 | ↓ |