In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 21 | Yes |
Popular Name: 1-[(3-fluorophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine 1-[(3-fluorophenyl)methyl]-4-[(1…
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) | 3.68 | 9.24 | -35.73 | 1 | 2 | 1 | 8 | 291.434 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 9.36 | -39.57 | 1 | 2 | 1 | 8 | 291.434 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.68 | 6.97 | -2.51 | 0 | 2 | 0 | 6 | 290.426 | 3 | ↓ |