| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-3,3,3-trifluoro-N2-methyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]propane-1,2-diamine (2S)-3,3,3-trifluoro-N2-methyl-N…
| 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) | 0.94 | 1.81 | -47.8 | 3 | 3 | 1 | 40 | 241.277 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 1.45 | -2.48 | 2 | 3 | 0 | 38 | 240.269 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.94 | 3.72 | -127.95 | 4 | 3 | 2 | 41 | 242.285 | 5 | ↓ |
