In ZINC since | Heavy atoms | Benign functionality |
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April 23rd, 2009 | 18 | Yes |
Popular Name: (2S)-1-(3-ethylphenoxy)-3-(isobutylamino)propan-2-ol (2S)-1-(3-ethylphenoxy)-3-(isobu…
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) | 2.80 | 5.69 | -47.26 | 3 | 3 | 1 | 46 | 252.378 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 4.33 | -5.8 | 2 | 3 | 0 | 41 | 251.37 | 8 | ↓ |
Popular Name: (2R)-1-(3-ethoxypropylamino)-3-(3-ethylphenoxy)propan-2-ol (2R)-1-(3-ethoxypropylamino)-3-(…
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 | 4.83 | -46.04 | 3 | 4 | 1 | 55 | 282.404 | 11 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 3.47 | -7.1 | 2 | 4 | 0 | 51 | 281.396 | 11 | ↓ |
Popular Name: (2S)-1-(3-ethoxypropylamino)-3-(3-ethylphenoxy)propan-2-ol (2S)-1-(3-ethoxypropylamino)-3-(…
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 | 4.86 | -45.95 | 3 | 4 | 1 | 55 | 282.404 | 11 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 3.46 | -7.19 | 2 | 4 | 0 | 51 | 281.396 | 11 | ↓ |
Popular Name: (2R)-1-[[(1S)-1,2-dimethylpropyl]amino]-3-(3-ethylphenoxy)propan-2-ol (2R)-1-[[(1S)-1,2-dimethylpropyl…
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) | 3.48 | 5.85 | -40.55 | 3 | 3 | 1 | 46 | 266.405 | 8 | ↓ |
Popular Name: (2S)-1-[[(1S)-1,2-dimethylpropyl]amino]-3-(3-ethylphenoxy)propan-2-ol (2S)-1-[[(1S)-1,2-dimethylpropyl…
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) | 3.48 | 5.89 | -40.43 | 3 | 3 | 1 | 46 | 266.405 | 8 | ↓ |
Popular Name: (2R)-1-[[(1R)-1,2-dimethylpropyl]amino]-3-(3-ethylphenoxy)propan-2-ol (2R)-1-[[(1R)-1,2-dimethylpropyl…
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) | 3.48 | 5.75 | -40.94 | 3 | 3 | 1 | 46 | 266.405 | 8 | ↓ |
Popular Name: (2S)-1-[[(1R)-1,2-dimethylpropyl]amino]-3-(3-ethylphenoxy)propan-2-ol (2S)-1-[[(1R)-1,2-dimethylpropyl…
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) | 3.48 | 5.76 | -40.98 | 3 | 3 | 1 | 46 | 266.405 | 8 | ↓ |
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) | 3.11 | 5.6 | -43.25 | 3 | 3 | 1 | 46 | 252.378 | 9 | ↓ |
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) | 3.11 | 5.57 | -43.31 | 3 | 3 | 1 | 46 | 252.378 | 9 | ↓ |
Popular Name: (2R)-1-(3-ethylphenoxy)-3-(isopentylamino)propan-2-ol (2R)-1-(3-ethylphenoxy)-3-(isope…
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) | 3.33 | 6.07 | -43.93 | 3 | 3 | 1 | 46 | 266.405 | 9 | ↓ |
Popular Name: (2S)-1-(3-ethylphenoxy)-3-(isopentylamino)propan-2-ol (2S)-1-(3-ethylphenoxy)-3-(isope…
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) | 3.33 | 6.11 | -43.85 | 3 | 3 | 1 | 46 | 266.405 | 9 | ↓ |
Popular Name: (2R)-1-(cyclobutylmethylamino)-3-(3-ethylphenoxy)propan-2-ol (2R)-1-(cyclobutylmethylamino)-3…
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) | 2.72 | 6.1 | -44.17 | 3 | 3 | 1 | 46 | 264.389 | 8 | ↓ |
Popular Name: (2S)-1-(cyclobutylmethylamino)-3-(3-ethylphenoxy)propan-2-ol (2S)-1-(cyclobutylmethylamino)-3…
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) | 2.72 | 6.13 | -43.98 | 3 | 3 | 1 | 46 | 264.389 | 8 | ↓ |
Popular Name: (2R)-1-(cyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol (2R)-1-(cyclopropylmethylamino)-…
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) | 2.54 | 5.59 | -43.58 | 3 | 3 | 1 | 46 | 250.362 | 8 | ↓ |
Popular Name: (2S)-1-(cyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol (2S)-1-(cyclopropylmethylamino)-…
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) | 2.54 | 5.63 | -43.46 | 3 | 3 | 1 | 46 | 250.362 | 8 | ↓ |
Popular Name: (2R)-1-(3-ethylphenoxy)-3-[[(2R)-3-methoxy-2-methyl-propyl]amino]propan-2-ol (2R)-1-(3-ethylphenoxy)-3-[[(2R)…
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) | 2.40 | 4.58 | -46.26 | 3 | 4 | 1 | 55 | 282.404 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 3.37 | -6.86 | 2 | 4 | 0 | 51 | 281.396 | 10 | ↓ |
Popular Name: (2S)-1-(3-ethylphenoxy)-3-[[(2R)-3-methoxy-2-methyl-propyl]amino]propan-2-ol (2S)-1-(3-ethylphenoxy)-3-[[(2R)…
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) | 2.40 | 4.62 | -46.19 | 3 | 4 | 1 | 55 | 282.404 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 3.35 | -6.87 | 2 | 4 | 0 | 51 | 281.396 | 10 | ↓ |
Popular Name: (2R)-1-(3-ethylphenoxy)-3-[[(2S)-3-methoxy-2-methyl-propyl]amino]propan-2-ol (2R)-1-(3-ethylphenoxy)-3-[[(2S)…
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) | 2.40 | 4.58 | -46.29 | 3 | 4 | 1 | 55 | 282.404 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 3.21 | -6.98 | 2 | 4 | 0 | 51 | 281.396 | 10 | ↓ |
Popular Name: (2S)-1-(3-ethylphenoxy)-3-[[(2S)-3-methoxy-2-methyl-propyl]amino]propan-2-ol (2S)-1-(3-ethylphenoxy)-3-[[(2S)…
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) | 2.40 | 4.62 | -46.2 | 3 | 4 | 1 | 55 | 282.404 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 3.19 | -7 | 2 | 4 | 0 | 51 | 281.396 | 10 | ↓ |
Popular Name: [2-hydroxy-3-(3-methylphenoxy)propyl](2-methylpropyl)amine [2-hydroxy-3-(3-methylphenoxy)pr…
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) | 2.33 | 4.93 | -47.33 | 3 | 3 | 1 | 46 | 238.351 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 3.43 | -5.92 | 2 | 3 | 0 | 41 | 237.343 | 7 | ↓ |
Popular Name: [2-hydroxy-3-(3-methylphenoxy)propyl](2-methylpropyl)amine [2-hydroxy-3-(3-methylphenoxy)pr…
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) | 2.33 | 4.87 | -47.42 | 3 | 3 | 1 | 46 | 238.351 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 3.61 | -6.57 | 2 | 3 | 0 | 41 | 237.343 | 7 | ↓ |
Popular Name: [(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-phenethyl-ammonium [(2S)-3-(3-ethylphenoxy)-2-hydro…
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) | 3.48 | -1.94 | -47.72 | 3 | 3 | 1 | 46 | 300.422 | 9 | ↓ |
Popular Name: [(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-phenethyl-ammonium [(2R)-3-(3-ethylphenoxy)-2-hydro…
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) | 3.48 | -1.98 | -47.75 | 3 | 3 | 1 | 46 | 300.422 | 9 | ↓ |
Popular Name: 1-[bis(2-methoxyethyl)amino]-3-(3-ethylphenoxy)-propan-2-ol 1-[bis(2-methoxyethyl)amino]-3-(…
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) | 2.24 | -0.77 | -39.54 | 2 | 5 | 1 | 52 | 312.43 | 12 | ↓ |
Popular Name: 1-[bis(2-methoxyethyl)amino]-3-(3-ethylphenoxy)-propan-2-ol 1-[bis(2-methoxyethyl)amino]-3-(…
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) | 2.24 | 0.23 | -37.63 | 2 | 5 | 1 | 52 | 312.43 | 12 | ↓ |