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Maltose derivatives (Public by Ariane_Marielle_Valle) Pang thesis kooo Purchasability Report

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Analogs

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Popular Name: (2R,3S,4S,5S,6R)-6-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymeth (2R,3S,4S,5S,6R)-6-[[(2R,3R,4S,5…

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Physical Representations

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) -4.30 -15.19 -14.66 8 11 0 190 342.297 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5S,6R)-6-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymeth (2R,3S,4S,5S,6R)-6-[[(2R,3S,4S,5…

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Physical Representations

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) -4.30 -15.72 -14.27 8 11 0 190 342.297 4 ↓

Analogs

3977952
3977952
3978744
3978744
4027419
4027419
4027420
4027420
4095490
4095490

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Popular Name: alpha-D-Lactose monohydrate, 97% alpha-D-Lactose monohydrate, 97%

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Physical Representations

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) -4.45 -14.67 -16.38 8 11 0 190 342.297 4 ↓

Analogs

3977952
3977952
3978744
3978744
4027419
4027419
4027420
4027420
4095490
4095490

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-D-Lactose monohydrate, 97% alpha-D-Lactose monohydrate, 97%

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Physical Representations

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) -4.45 -13.68 -12.66 8 11 0 190 342.297 4 ↓

Analogs

3977952
3977952
3978744
3978744
4027419
4027419
4027420
4027420
4095490
4095490

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-D-Lactose monohydrate, 97% alpha-D-Lactose monohydrate, 97%

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Physical Representations

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) -4.45 -15.81 -15.06 8 11 0 190 342.297 4 ↓

Analogs

3977952
3977952
3978744
3978744
4027419
4027419
4027420
4027420
4095490
4095490

Draw Identity 99% 90% 80% 70%

Popular Name: alpha-D-Lactose monohydrate, 97% alpha-D-Lactose monohydrate, 97%

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Physical Representations

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) -4.45 -13.73 -11.84 8 11 0 190 342.297 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6S)-2-[[(2S,3S,4R,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S, (2S,3S,4R,5S,6S)-2-[[(2S,3S,4R,5…

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Physical Representations

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) -5.65 -28.11 -19.43 14 21 0 348 666.579 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6S)-2-[[(2S,3S,4R,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S, (2S,3S,4R,5S,6S)-2-[[(2S,3S,4R,5…

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Physical Representations

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) -5.65 -28.42 -20.64 14 21 0 348 666.579 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6S)-2-[[(2S,3S,4R,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S, (2S,3S,4R,5S,6S)-2-[[(2S,3S,4R,5…

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Physical Representations

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) -5.65 -27.63 -19.81 14 21 0 348 666.579 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6S)-2-[[(2S,3S,4R,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S, (2S,3S,4R,5S,6S)-2-[[(2S,3S,4R,5…

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Physical Representations

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) -5.65 -28.03 -21.92 14 21 0 348 666.579 10 ↓

Analogs

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Popular Name: (2S,3R,4R,5R,6R)-2-methyl-6-[(2R,3R,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl (2S,3R,4R,5R,6R)-2-methyl-6-[(2R…

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Physical Representations

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) -3.56 -11.72 -14 7 10 0 169 326.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R,5R,6R)-2-methyl-6-[(2R,3R,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl (2R,3R,4R,5R,6R)-2-methyl-6-[(2R…

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Physical Representations

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) -3.56 -12.06 -13.97 7 10 0 169 326.298 3 ↓

Analogs

3978744
3978744
4027419
4027419
4027420
4027420
4095490
4095490
4095709
4095709

Draw Identity 99% 90% 80% 70%

Popular Name: Lactulose Lactulose

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Physical Representations

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) -4.53 -16.61 -16.57 8 11 0 190 342.297 5 ↓

Analogs

4027419
4027419
4027420
4027420
4095490
4095490
4095711
4095711
4095713
4095713

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Popular Name: D-(+)-Cellobiose D-(+)-Cellobiose

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Physical Representations

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) -4.45 -15.98 -11.69 8 11 0 190 342.297 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5S,6R)-2-methyl-6-[(2R,3R,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl (2S,3R,4R,5S,6R)-2-methyl-6-[(2R…

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Physical Representations

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) -3.56 -12.1 -12.88 7 10 0 169 326.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R,5S,6R)-2-methyl-6-[(2R,3R,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl (2R,3R,4R,5S,6R)-2-methyl-6-[(2R…

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Physical Representations

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) -3.56 -12.44 -12.96 7 10 0 169 326.298 3 ↓

Analogs

4095711
4095711
4095713
4095713
4095714
4095714
4095761
4095761
4095762
4095762

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Popular Name: Maltose Maltose

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Physical Representations

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) -4.45 -17 -12.25 8 11 0 190 342.297 4 ↓

Analogs

4095714
4095714
4095761
4095761
4095762
4095762
4095793
4095793
4095987
4095987

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Popular Name: 6-O-alpha-D-glucopyranosyl-D-fructofuranose 6-O-alpha-D-glucopyranosyl-D-fru…

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Physical Representations

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) -3.75 -17.48 -16.84 8 11 0 190 342.297 5 ↓

Analogs

4095761
4095761
4095762
4095762
4095793
4095793
4095987
4095987
4096700
4096700

Draw Identity 99% 90% 80% 70%

Popular Name: 6-O-alpha-D-glucopyranosyl-D-fructofuranose 6-O-alpha-D-glucopyranosyl-D-fru…

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Physical Representations

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) -3.75 -16.87 -18.23 8 11 0 190 342.297 5 ↓

Analogs

3830982
3830982

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Popular Name: Lactose Lactose

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Physical Representations

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) -3.43 -19.59 -11.26 8 11 0 189 342.297 4 ↓

Analogs

3830982
3830982

Draw Identity 99% 90% 80% 70%

Popular Name: Maltose Maltose

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Physical Representations

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) -4.45 -17.12 -11.12 8 11 0 190 342.297 4 ↓

Analogs

3830982
3830982

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Popular Name: Alpha-d-lactose monohydrate Alpha-d-lactose monohydrate

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Physical Representations

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) -3.43 -19.4 -12.93 8 11 0 189 342.297 4 ↓

Analogs

3830982
3830982

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Popular Name: C02964; D-Glucosyl-D-mannose C02964; D-Glucosyl-D-mannose

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Physical Representations

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) -3.43 -19.69 -12.28 8 11 0 189 342.297 4 ↓

Analogs

3830982
3830982

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Popular Name: MELIBIOSE MELIBIOSE

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Physical Representations

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) -4.30 -16.36 -11.21 8 11 0 190 342.297 4 ↓

Analogs

3830982
3830982

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Popular Name: melibiose melibiose

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Physical Representations

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) -4.30 -16.23 -12.24 8 11 0 190 342.297 4 ↓

Analogs

3830982
3830982

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Popular Name: cellobiose cellobiose

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Physical Representations

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) -3.43 -19.94 -10.57 8 11 0 189 342.297 4 ↓

Analogs

3830982
3830982

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Popular Name: Gentiobiose Gentiobiose

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Physical Representations

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) -4.30 -17.03 -10.05 8 11 0 190 342.297 4 ↓

Analogs

3830982
3830982

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Popular Name: Rutinose Rutinose

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Physical Representations

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) -3.34 -18.14 -11.86 7 10 0 169 326.298 3 ↓

Analogs

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Popular Name: (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihy (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5S…

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Physical Representations

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) -5.25 -22.24 -23.23 11 16 0 269 504.438 7 ↓

Analogs

3830982
3830982

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Popular Name: ISOMALTOSE ISOMALTOSE

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Physical Representations

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) -4.30 -16.94 -11.92 8 11 0 190 342.297 4 ↓

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3830982
3830982

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Popular Name: ISOMALTOSE ISOMALTOSE

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Physical Representations

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) -4.30 -16.83 -12.75 8 11 0 190 342.297 4 ↓

Analogs

3830982
3830982

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Popular Name: D-Cellobiose D-Cellobiose

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Physical Representations

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) -4.45 -15.97 -14.75 8 11 0 190 342.297 4 ↓

Analogs

3830982
3830982

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Popular Name: D-Cellobiose D-Cellobiose

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Physical Representations

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) -4.45 -13.71 -13.06 8 11 0 190 342.297 4 ↓

Analogs

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Popular Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihy (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5S…

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Physical Representations

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) -5.25 -23.01 -20.36 11 16 0 269 504.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5S,6S)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihy (2R,3S,4S,5S,6S)-2-[(2R,3S,4R,5S…

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Physical Representations

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) -5.25 -22.86 -22.79 11 16 0 269 504.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihy (2R,3S,4S,5S,6R)-2-[(2R,3S,4R,5S…

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Physical Representations

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) -5.25 -22.94 -21.59 11 16 0 269 504.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6S)-2-[[(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S, (2S,3S,4R,5S,6S)-2-[[(2R,3S,4S,5…

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Physical Representations

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) -5.65 -28.72 -21.37 14 21 0 348 666.579 10 ↓

Analogs

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Popular Name: (2S,3S,4R,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S, (2S,3S,4R,5S,6R)-2-[[(2R,3S,4S,5…

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Physical Representations

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) -5.65 -28.88 -23.25 14 21 0 348 666.579 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5S,6S)-2-[[(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S, (2S,3S,4S,5S,6S)-2-[[(2R,3S,4S,5…

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Physical Representations

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) -5.65 -29.14 -22.5 14 21 0 348 666.579 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S, (2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5…

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Physical Representations

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) -5.65 -29.14 -22.17 14 21 0 348 666.579 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihy (2S,3R,4S,5S,6S)-2-[(2R,3S,4R,5S…

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Physical Representations

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) -5.25 -20.57 -20.78 11 16 0 269 504.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihy (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S…

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Physical Representations

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) -5.25 -20.77 -16.44 11 16 0 269 504.438 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5S,6S)-2-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihy (2S,3S,4S,5S,6S)-2-[(2R,3S,4R,5S…

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Physical Representations

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) -5.25 -21.06 -20.06 11 16 0 269 504.438 7 ↓

Analogs

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Popular Name: beta-D-Manp-(1->4)-beta-D-Manp-(1->4)-D-Manp beta-D-Manp-(1->4)-beta-D-Manp-(…

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And 3 More

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Physical Representations

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) -5.25 -20.39 -17.62 11 16 0 269 504.438 7 ↓

Analogs

3830982
3830982

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Popular Name: 2-[6-ethoxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran 2-[6-ethoxy-4,5-dihydroxy-2-(hyd…

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Activity (Go SEA)

Physical Representations

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) -3.58 -16.84 -13.72 7 11 0 178 370.351 6 ↓

Analogs

3830982
3830982

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-ethoxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran 2-[6-ethoxy-4,5-dihydroxy-2-(hyd…

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Activity (Go SEA)

Physical Representations

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) -3.58 -16.81 -13.21 7 11 0 178 370.351 6 ↓

Analogs

3830982
3830982

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-ethoxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran 2-[6-ethoxy-4,5-dihydroxy-2-(hyd…

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Activity (Go SEA)

Physical Representations

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) -3.58 -17.5 -12.17 7 11 0 178 370.351 6 ↓

Analogs

3830982
3830982

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-ethoxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran 2-[6-ethoxy-4,5-dihydroxy-2-(hyd…

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Activity (Go SEA)

Physical Representations

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) -3.58 -17.27 -12.36 7 11 0 178 370.351 6 ↓

Analogs

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Popular Name: D-(+)-Maltose monohydrate, 95% D-(+)-Maltose monohydrate, 95%

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Physical Representations

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) -4.45 -15.18 -13.32 8 11 0 190 342.297 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-(+)-Maltose monohydrate, 95% D-(+)-Maltose monohydrate, 95%

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Activity (Go SEA)

Physical Representations

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) -4.45 -15.91 -13.11 8 11 0 190 342.297 4 ↓