In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2009 | 21 | Yes |
Popular Name: (2S)-2-(o-tolyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (2S)-2-(o-tolyl)-2-[4-(2,2,2-tri…
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) | 1.95 | 3.57 | -47.49 | 3 | 3 | 1 | 34 | 302.364 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 5.7 | -119.71 | 4 | 3 | 2 | 35 | 303.372 | 5 | ↓ |