In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 21st, 2009 | 27 | Yes |
Popular Name: (4-ethylpiperazin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidyl]methanone (4-ethylpiperazin-1-yl)-[1-[[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) | 3.03 | 9.42 | -54.26 | 1 | 4 | 1 | 28 | 384.466 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 11.72 | -106.89 | 2 | 4 | 2 | 29 | 385.474 | 5 | ↓ |