In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2008 | 17 | Yes |
Popular Name: (2R)-1-(4-chloro-2-methyl-phenyl)-2-ethyl-2-methyl-piperazine (2R)-1-(4-chloro-2-methyl-phenyl…
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) | 3.70 | 7.38 | -115.62 | 3 | 2 | 2 | 21 | 254.805 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 6.48 | -1.38 | 1 | 2 | 0 | 15 | 252.789 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 7.71 | -42.38 | 2 | 2 | 1 | 20 | 253.797 | 2 | ↓ |