In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (2S)-2-(5-methyl-2-furyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine (2S)-2-(5-methyl-2-furyl)-2-[4-(…
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) | 1.02 | 2.12 | -48.88 | 3 | 4 | 1 | 47 | 292.325 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 4.24 | -109.47 | 4 | 4 | 2 | 48 | 293.333 | 5 | ↓ |