In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 18 | Yes |
Popular Name: (1S,2R)-2-[cyclopropyl(2-hydroxyethyl)carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[cyclopropyl(2-hydroxy…
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) | 0.80 | 4.98 | -58.86 | 1 | 5 | -1 | 81 | 254.306 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.80 | 3 | -11.13 | 2 | 5 | 0 | 78 | 255.314 | 5 | ↓ |
Popular Name: (1S,2R)-2-[1-ethylpropyl(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[1-ethylpropyl(2-metho…
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) | 2.79 | 9.04 | -60.96 | 0 | 5 | -1 | 70 | 298.403 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 7.46 | -9.61 | 1 | 5 | 0 | 67 | 299.411 | 8 | ↓ |
Popular Name: (1S,2S)-2-[1-ethylpropyl(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[1-ethylpropyl(2-metho…
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) | 2.79 | 10 | -55.34 | 0 | 5 | -1 | 70 | 298.403 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 7.44 | -8.96 | 1 | 5 | 0 | 67 | 299.411 | 8 | ↓ |
Popular Name: (1R,2R)-2-[1-ethylpropyl(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1R,2R)-2-[1-ethylpropyl(2-metho…
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) | 2.79 | 9.24 | -64.66 | 0 | 5 | -1 | 70 | 298.403 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 7.66 | -10.27 | 1 | 5 | 0 | 67 | 299.411 | 8 | ↓ |
Popular Name: (1R,2S)-2-[1-ethylpropyl(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1R,2S)-2-[1-ethylpropyl(2-metho…
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) | 2.79 | 9.68 | -53.39 | 0 | 5 | -1 | 70 | 298.403 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 7.22 | -7.97 | 1 | 5 | 0 | 67 | 299.411 | 8 | ↓ |
Popular Name: 1-[2-[cyclopropyl(2-methoxyethyl)amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[cyclopropyl(2-methoxyethyl…
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) | 1.52 | 8.36 | -61.05 | 0 | 5 | -1 | 70 | 282.36 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.52 | 6.59 | -9.87 | 1 | 5 | 0 | 67 | 283.368 | 7 | ↓ |
Popular Name: (1S,2R)-2-[cyclopropyl(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[cyclopropyl(2-methoxy…
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) | 1.41 | 6.71 | -62.96 | 0 | 5 | -1 | 70 | 268.333 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 5.3 | -12.6 | 1 | 5 | 0 | 67 | 269.341 | 6 | ↓ |
Popular Name: (1S,2S)-2-[cyclopropyl(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[cyclopropyl(2-methoxy…
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) | 1.41 | 7.78 | -60.64 | 0 | 5 | -1 | 70 | 268.333 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 5.69 | -12.55 | 1 | 5 | 0 | 67 | 269.341 | 6 | ↓ |
Popular Name: (1R,2R)-2-[cyclopropyl(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1R,2R)-2-[cyclopropyl(2-methoxy…
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) | 1.41 | 6.94 | -66.33 | 0 | 5 | -1 | 70 | 268.333 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 5.56 | -13.03 | 1 | 5 | 0 | 67 | 269.341 | 6 | ↓ |
Popular Name: (1R,2S)-2-[cyclopropyl(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1R,2S)-2-[cyclopropyl(2-methoxy…
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) | 1.41 | 7.56 | -59.52 | 0 | 5 | -1 | 70 | 268.333 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 5.51 | -12.4 | 1 | 5 | 0 | 67 | 269.341 | 6 | ↓ |
Popular Name: (1S,2R)-2-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1S)-1-cyclopropylet…
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) | 2.25 | 8.23 | -62.69 | 0 | 5 | -1 | 70 | 296.387 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 6.67 | -10.24 | 1 | 5 | 0 | 67 | 297.395 | 7 | ↓ |
Popular Name: (1S,2R)-2-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1R)-1-cyclopropylet…
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) | 2.25 | 8.36 | -62.12 | 0 | 5 | -1 | 70 | 296.387 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 6.8 | -10.64 | 1 | 5 | 0 | 67 | 297.395 | 7 | ↓ |
Popular Name: (1S,2S)-2-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1S)-1-cyclopropylet…
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) | 2.25 | 8.95 | -56.54 | 0 | 5 | -1 | 70 | 296.387 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 6.49 | -9.98 | 1 | 5 | 0 | 67 | 297.395 | 7 | ↓ |
Popular Name: (1S,2S)-2-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1R)-1-cyclopropylet…
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) | 2.25 | 8.99 | -57.55 | 0 | 5 | -1 | 70 | 296.387 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 6.52 | -10.21 | 1 | 5 | 0 | 67 | 297.395 | 7 | ↓ |