In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: 2-methyl-4-[[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]aniline 2-methyl-4-[[methyl-[[(2S)-tetra…
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) | 1.98 | 6.11 | -32.27 | 3 | 3 | 1 | 40 | 235.351 | 4 | ↓ |
Popular Name: 4-[[(2R)-2-ethylmorpholin-4-yl]methyl]-2-methyl-aniline 4-[[(2R)-2-ethylmorpholin-4-yl]m…
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) | 2.31 | 3.82 | -3.67 | 2 | 3 | 0 | 38 | 234.343 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 6.08 | -34.9 | 3 | 3 | 1 | 40 | 235.351 | 3 | ↓ |
Popular Name: 4-[[(2S)-2-ethylmorpholin-4-yl]methyl]-2-methyl-aniline 4-[[(2S)-2-ethylmorpholin-4-yl]m…
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) | 2.31 | 3.81 | -3.71 | 2 | 3 | 0 | 38 | 234.343 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 6.07 | -34.83 | 3 | 3 | 1 | 40 | 235.351 | 3 | ↓ |
Popular Name: 4-[[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]aniline 4-[[ethyl-[[(2S)-tetrahydrofuran…
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) | 1.57 | 6.02 | -31.06 | 3 | 3 | 1 | 40 | 235.351 | 5 | ↓ |
Popular Name: 4-[[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]aniline 4-[[ethyl-[[(2R)-tetrahydrofuran…
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) | 1.57 | 6.34 | -29.74 | 3 | 3 | 1 | 40 | 235.351 | 5 | ↓ |
Popular Name: 4-[[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]aniline 4-[[methyl-[[(2S)-tetrahydrofura…
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) | 1.19 | 5.33 | -32.52 | 3 | 3 | 1 | 40 | 221.324 | 4 | ↓ |
Popular Name: 4-[[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]aniline 4-[[methyl-[[(2R)-tetrahydrofura…
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) | 1.19 | 5.43 | -31.85 | 3 | 3 | 1 | 40 | 221.324 | 4 | ↓ |
Popular Name: 4-[[propyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]aniline 4-[[propyl-[[(2S)-tetrahydrofura…
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) | 2.07 | 6.76 | -31.48 | 3 | 3 | 1 | 40 | 249.378 | 6 | ↓ |
Popular Name: 4-[[propyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]aniline 4-[[propyl-[[(2R)-tetrahydrofura…
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) | 2.07 | 6.35 | -31.3 | 3 | 3 | 1 | 40 | 249.378 | 6 | ↓ |