| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 20 | Yes |
Popular Name: N-[(1S)-1-(3-bromophenyl)ethyl]-3-[[(2S)-tetrahydrofuran-2-yl]methoxy]propan-1-amine N-[(1S)-1-(3-bromophenyl)ethyl]-…
| 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) | 3.47 | 7.87 | -43.66 | 2 | 3 | 1 | 35 | 343.285 | 8 | ↓ |
Popular Name: (2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-(cyclohexoxy)propan-2-ol (2R)-1-[[(1S)-1-(3-bromophenyl)e…
| 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) | 4.09 | 6.93 | -44.48 | 3 | 3 | 1 | 46 | 357.312 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.09 | 5.75 | -4.42 | 2 | 3 | 0 | 41 | 356.304 | 7 | ↓ |
Popular Name: (2R)-1-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3-(cyclohexoxy)propan-2-ol (2R)-1-[[(1R)-1-(3-bromophenyl)e…
| 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) | 4.09 | 6.92 | -44.64 | 3 | 3 | 1 | 46 | 357.312 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.09 | 5.76 | -5.1 | 2 | 3 | 0 | 41 | 356.304 | 7 | ↓ |
