| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: 4-[methyl-(1-methyl-4-piperidyl)amino]-2-(trifluoromethyl)benzonitrile 4-[methyl-(1-methyl-4-piperidyl)…
| 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) | 3.04 | 9.2 | -46.81 | 1 | 3 | 1 | 31 | 298.332 | 3 | ↓ |
Popular Name: N-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine N-methyl-1-[4-methyl-3-(trifluor…
| 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) | 3.49 | 7.34 | -42.69 | 2 | 2 | 1 | 20 | 273.322 | 3 | ↓ |
Popular Name: (3R,4S)-N,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine (3R,4S)-N,3-dimethyl-1-[4-methyl…
| 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) | 3.96 | 8.2 | -42.51 | 2 | 2 | 1 | 20 | 287.349 | 3 | ↓ |
Popular Name: (3R,4R)-N,3-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine (3R,4R)-N,3-dimethyl-1-[4-methyl…
| 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) | 3.96 | 7.99 | -41.24 | 2 | 2 | 1 | 20 | 287.349 | 3 | ↓ |
Popular Name: (4S,6R)-4,6-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]-1,5-diazocane (4S,6R)-4,6-dimethyl-1-[4-methyl…
| 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) | 4.16 | 8.87 | -35.39 | 2 | 2 | 1 | 20 | 301.376 | 2 | ↓ |
Popular Name: (4R,6R)-4,6-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]-1,5-diazocane (4R,6R)-4,6-dimethyl-1-[4-methyl…
| 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) | 4.16 | 8.84 | -38.47 | 2 | 2 | 1 | 20 | 301.376 | 2 | ↓ |
Popular Name: (4S,6S)-4,6-dimethyl-1-[4-methyl-3-(trifluoromethyl)phenyl]-1,5-diazocane (4S,6S)-4,6-dimethyl-1-[4-methyl…
| 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) | 4.16 | 8.83 | -38.37 | 2 | 2 | 1 | 20 | 301.376 | 2 | ↓ |
