| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 17 | Yes |
Popular Name: N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-methyl-butan-1-amine N-[(S)-cyclopropyl-(4-fluorophen…
| 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) | 4.37 | 9.45 | -42.46 | 2 | 1 | 1 | 17 | 236.354 | 6 | ↓ |
Popular Name: (1R)-1-cyclopropyl-1-(4-fluorophenyl)-N-[(1-methyl-4-piperidyl)methyl]methanamine (1R)-1-cyclopropyl-1-(4-fluoroph…
| 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) | 3.52 | 10.33 | -105.77 | 3 | 2 | 2 | 21 | 278.415 | 5 | ↓ |
Popular Name: (1S)-1-cyclopropyl-1-(4-fluorophenyl)-N-[(1-methyl-4-piperidyl)methyl]methanamine (1S)-1-cyclopropyl-1-(4-fluoroph…
| 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) | 3.52 | 10.56 | -104.81 | 3 | 2 | 2 | 21 | 278.415 | 5 | ↓ |
Popular Name: (1R)-1-cyclopropyl-N-[(1-ethyl-4-piperidyl)methyl]-1-(4-fluorophenyl)methanamine (1R)-1-cyclopropyl-N-[(1-ethyl-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) | 3.89 | 11 | -106.18 | 3 | 2 | 2 | 21 | 292.442 | 6 | ↓ |
Popular Name: (1S)-1-cyclopropyl-N-[(1-ethyl-4-piperidyl)methyl]-1-(4-fluorophenyl)methanamine (1S)-1-cyclopropyl-N-[(1-ethyl-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) | 3.89 | 11.22 | -105.19 | 3 | 2 | 2 | 21 | 292.442 | 6 | ↓ |
