In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 20 | Yes |
Popular Name: (2R)-1-[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic (2R)-1-[(2R)-2-[[(2S)-pyrrolidin…
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) | -2.55 | 3.13 | -72.58 | 3 | 7 | 0 | 106 | 283.328 | 4 | ↓ |
Hi High (pH 8-9.5) | -2.55 | 1.87 | -57.5 | 2 | 7 | -1 | 102 | 282.32 | 4 | ↓ |
Popular Name: (2R)-1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[(2R)-1-(2,2-dimethylprop…
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) | -0.71 | 7.18 | -72.88 | 0 | 6 | -1 | 81 | 295.359 | 3 | ↓ |
Popular Name: (2R)-1-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[(2S)-1-(2,2-dimethylprop…
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) | -0.71 | 6.68 | -82 | 0 | 6 | -1 | 81 | 295.359 | 3 | ↓ |
Popular Name: (2S)-1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[(2R)-1-(2,2-dimethylprop…
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) | -0.71 | 7.36 | -81.31 | 0 | 6 | -1 | 81 | 295.359 | 3 | ↓ |
Popular Name: (2R)-1-[(2R)-1-[(2R)-pyrrolidin-1-ium-2-carbonyl]prolyl]pyrrolidine-2-carboxylate (2R)-1-[(2R)-1-[(2R)-pyrrolidin-…
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 | -2.55 | -85.68 | 2 | 7 | 0 | 97 | 309.366 | 3 | ↓ |
Popular Name: (2R)-1-[(2R)-1-(2-ammonioacetyl)prolyl]pyrrolidine-2-carboxylate (2R)-1-[(2R)-1-(2-ammonioacetyl)…
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) | -3.61 | 2.87 | -87.54 | 3 | 7 | 0 | 108 | 269.301 | 3 | ↓ |
Popular Name: 1-[1-(2-aminopropanoyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic 1-[1-(2-aminopropanoyl)pyrrolidi…
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) | -3.21 | -3.42 | -84.15 | 3 | 7 | 0 | 108 | 283.328 | 3 | ↓ |
Popular Name: 1-[1-(2-aminopropanoyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic 1-[1-(2-aminopropanoyl)pyrrolidi…
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) | -3.21 | -3.27 | -89.28 | 3 | 7 | 0 | 108 | 283.328 | 3 | ↓ |
Popular Name: 1-[1-(2-aminopropanoyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic 1-[1-(2-aminopropanoyl)pyrrolidi…
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) | -3.21 | -3.43 | -87.3 | 3 | 7 | 0 | 108 | 283.328 | 3 | ↓ |
Popular Name: 1-[1-(2-aminopropanoyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic 1-[1-(2-aminopropanoyl)pyrrolidi…
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) | -3.21 | -3.47 | -81.27 | 3 | 7 | 0 | 108 | 283.328 | 3 | ↓ |
Popular Name: 1-(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylpyrrolidine-2-carboxylic 1-(1-pyrrolidin-2-ylcarbonylpyrr…
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 | -2.55 | -80.4 | 2 | 7 | 0 | 97 | 309.366 | 3 | ↓ |
Popular Name: 1-(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylpyrrolidine-2-carboxylic 1-(1-pyrrolidin-2-ylcarbonylpyrr…
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 | -2.47 | -77.79 | 2 | 7 | 0 | 97 | 309.366 | 3 | ↓ |
Popular Name: 1-(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylpyrrolidine-2-carboxylic 1-(1-pyrrolidin-2-ylcarbonylpyrr…
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 | -2.47 | -86.08 | 2 | 7 | 0 | 97 | 309.366 | 3 | ↓ |
Popular Name: 1-[1-(2,2-dimethylpropanoyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic 1-[1-(2,2-dimethylpropanoyl)pyrr…
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) | -0.71 | 0.41 | -74.11 | 0 | 6 | -1 | 80 | 295.359 | 3 | ↓ |