UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38599919
38599919
38599922
38599922
38599925
38599925
38599927
38599927
44699094
44699094

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Popular Name: N-[(2S,4aR,6S,7R,8S,8aR)-8-allyloxy-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]di N-[(2S,4aR,6S,7R,8S,8aR)-8-allyl…

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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) 2.84 9.67 -12.29 1 7 0 75 439.508 8 ↓

Analogs

38599919
38599919
38599922
38599922
38599925
38599925
38599927
38599927
44699094
44699094

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,6S,7S,8S,8aR)-8-allyloxy-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]di N-[(2S,4aR,6S,7S,8S,8aR)-8-allyl…

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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) 2.84 10.16 -9.21 1 7 0 75 439.508 8 ↓

Analogs

38599919
38599919
38599922
38599922
38599925
38599925
38599927
38599927
44699094
44699094

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,6S,7R,8R,8aR)-8-allyloxy-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]di N-[(2S,4aR,6S,7R,8R,8aR)-8-allyl…

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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) 2.84 9.5 -14.96 1 7 0 75 439.508 8 ↓

Analogs

38599919
38599919
38599922
38599922
38599925
38599925
38599927
38599927
44699094
44699094

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,6S,7S,8R,8aR)-8-allyloxy-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]di N-[(2S,4aR,6S,7S,8R,8aR)-8-allyl…

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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) 2.84 9.72 -10.47 1 7 0 75 439.508 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R,4aS,6R,7R,8R,8aR)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d] (2R)-2-[[(2R,4aS,6R,7R,8R,8aR)-7…

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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) 1.80 9.51 -57.27 1 9 -1 115 470.498 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R,4aS,6R,7R,8S,8aR)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d] (2R)-2-[[(2R,4aS,6R,7R,8S,8aR)-7…

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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) 1.80 8.86 -54.33 1 9 -1 115 470.498 8 ↓

Analogs

38600417
38600417
38600420
38600420
38600423
38600423
38600426
38600426
44699125
44699125

Draw Identity 99% 90% 80% 70%

Popular Name: BenzylN-Acetyl-4,6-O-benzylidene-¦Á-D-muramicAcidMethylEster BenzylN-Acetyl-4,6-O-benzylidene…

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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) 2.42 9.7 -12.44 1 9 0 102 485.533 9 ↓

Analogs

38600417
38600417
38600420
38600420
38600423
38600423
38600426
38600426
44699125
44699125

Draw Identity 99% 90% 80% 70%

Popular Name: BenzylN-Acetyl-4,6-O-benzylidene-¦Á-D-muramicAcidMethylEster BenzylN-Acetyl-4,6-O-benzylidene…

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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) 2.42 9.09 -14.06 1 9 0 102 485.533 9 ↓

Analogs

38600417
38600417
38600420
38600420
38600423
38600423
38600426
38600426
44699125
44699125

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Popular Name: methyl methyl

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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) 2.42 9.58 -14.29 1 9 0 102 485.533 9 ↓

Analogs

38600417
38600417
38600420
38600420
38600423
38600423
38600426
38600426
44699125
44699125

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Popular Name: methyl methyl

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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) 2.42 8.94 -11.25 1 9 0 102 485.533 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,6R,7S,8S,8aR)-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (2S,4aR,6R,7S,8S,8aR)-6-benzylox…

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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) 2.01 4.48 -10 2 6 0 77 358.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,6R,7S,8R,8aS)-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (2S,4aS,6R,7S,8R,8aS)-6-benzylox…

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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) 2.01 3.95 -10.09 2 6 0 77 358.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,6R,7S,8R,8aS)-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (2S,4aR,6R,7S,8R,8aS)-6-benzylox…

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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) 2.01 3.88 -9.08 2 6 0 77 358.39 4 ↓

Analogs

4288731
4288731

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Popular Name: (2S)-2-[[(2R,4aS,6S,7R,8R,8aR)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d] (2S)-2-[[(2R,4aS,6S,7R,8R,8aR)-7…

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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) 1.80 9.71 -56.43 1 9 -1 115 470.498 8 ↓

Analogs

4288731
4288731

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S,4aS,6S,7R,8R,8aR)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d] (2S)-2-[[(2S,4aS,6S,7R,8R,8aR)-7…

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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) 1.80 10.1 -60.83 1 9 -1 115 470.498 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Benzyl 4,6-O-benzylidene-a-D-mannopyranoside Benzyl 4,6-O-benzylidene-a-D-man…

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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) 2.01 3.52 -9.79 2 6 0 77 358.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aS,6S,7R,8S,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dio [(2S,4aS,6S,7R,8S,8aS)-7-acetami…

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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) 1.57 6.34 -20.08 1 9 0 109 477.535 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4aS,6S,7S,8S,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dio [(2S,4aS,6S,7S,8S,8aS)-7-acetami…

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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) 1.57 6.24 -20.11 1 9 0 109 477.535 7 ↓

Analogs

1081296
1081296
2387135
2387135
2572562
2572562

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,6R,7S,8R,8aS)-6-benzyloxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dio N-[(2S,4aR,6R,7S,8R,8aS)-6-benzy…

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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) 2.19 7.5 -10.04 1 7 0 75 413.47 6 ↓

Analogs

1081296
1081296
2387135
2387135
2572562
2572562

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aS,6R,7S,8R,8aS)-6-benzyloxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dio N-[(2S,4aS,6R,7S,8R,8aS)-6-benzy…

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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) 2.19 7.55 -11.64 1 7 0 75 413.47 6 ↓

Analogs

1081296
1081296
2387135
2387135
2572562
2572562

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aR,6R,7S,8R,8aS)-6-benzyloxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dio N-[(2R,4aR,6R,7S,8R,8aS)-6-benzy…

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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) 2.19 7.92 -11.14 1 7 0 75 413.47 6 ↓

Analogs

1081296
1081296
2387135
2387135
2572562
2572562

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aS,6R,7S,8R,8aS)-6-benzyloxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dio N-[(2R,4aS,6R,7S,8R,8aS)-6-benzy…

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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) 2.19 8.15 -12.66 1 7 0 75 413.47 6 ↓

Analogs

5726218
5726218
5726219
5726219

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Popular Name: n / a n / a

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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) 1.57 5.16 -10.63 2 7 0 86 399.443 5 ↓

Analogs

1081296
1081296
2387135
2387135
2572562
2572562

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Popular Name: n / a n / a

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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) 1.57 5.25 -12.17 2 7 0 86 399.443 5 ↓

Analogs

1081296
1081296
2387135
2387135
2572562
2572562

Draw Identity 99% 90% 80% 70%

Popular Name: n / a n / a

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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) 1.57 5.58 -11.76 2 7 0 86 399.443 5 ↓

Analogs

1081296
1081296
2387135
2387135
2572562
2572562

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Popular Name: n / a n / a

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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) 1.57 6.19 -13.72 2 7 0 86 399.443 5 ↓

Analogs

1081296
1081296
2387135
2387135
2572562
2572562

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,6S,7S,8R,8aS)-6-benzyloxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dio N-[(2S,4aR,6S,7S,8R,8aS)-6-benzy…

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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) 1.57 4.38 -9.39 2 7 0 86 399.443 5 ↓

Analogs

1081296
1081296
2387135
2387135
2572562
2572562

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Popular Name: BENZYL 2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE BENZYL 2-ACETAMIDO-4,6-O-BENZYLI…

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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) 1.57 4.8 -10.72 2 7 0 86 399.443 5 ↓

Analogs

4422127
4422127
4422129
4422129

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S,4aR,6S,7S,8R,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3] 2-[[(2S,4aR,6S,7S,8R,8aS)-7-acet…

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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) 1.44 8.3 -53.71 1 9 -1 115 456.471 8 ↓

Analogs

4422127
4422127
4422129
4422129

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Popular Name: 2-[[(2S,4aS,6S,7S,8R,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3] 2-[[(2S,4aS,6S,7S,8R,8aS)-7-acet…

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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) 1.44 8.23 -53.21 1 9 -1 115 456.471 8 ↓

Analogs

4422127
4422127
4422129
4422129

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,4aR,6S,7S,8R,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3] 2-[[(2R,4aR,6S,7S,8R,8aS)-7-acet…

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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) 1.44 8.72 -55.31 1 9 -1 115 456.471 8 ↓

Analogs

4422127
4422127
4422129
4422129

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R,4aS,6S,7S,8R,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3] 2-[[(2R,4aS,6S,7S,8R,8aS)-7-acet…

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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) 1.44 9.4 -51.42 1 9 -1 115 456.471 8 ↓

Analogs

4530738
4530738
4530739
4530739

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Popular Name: (2S,4aS,6R,7R,8R,8aS)-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (2S,4aS,6R,7R,8R,8aS)-6-benzylox…

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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) 2.01 3.54 -7.51 2 6 0 77 358.39 4 ↓

Analogs

4530738
4530738
4530739
4530739

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Popular Name: QB-0915 QB-0915

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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) 2.01 3.36 -6.68 2 6 0 77 358.39 4 ↓

Analogs

38599922
38599922
38599925
38599925
38599927
38599927
44699094
44699094
44699096
44699096

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Popular Name: N-[(2S,4aR,6S,7S,8R,8aS)-8-allyloxy-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]di N-[(2S,4aR,6S,7S,8R,8aS)-8-allyl…

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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) 2.84 8.25 -8.77 1 7 0 75 439.508 8 ↓

Analogs

22049897
22049897
22049903
22049903
22049909
22049909
22049913
22049913
35636409
35636409

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aS,6S,7S,8R,8aS)-8-allyloxy-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]di N-[(2S,4aS,6S,7S,8R,8aS)-8-allyl…

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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) 2.84 8.21 -9.25 1 7 0 75 439.508 8 ↓

Analogs

22049897
22049897
22049903
22049903
22049909
22049909
22049913
22049913
35636409
35636409

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aR,6S,7S,8R,8aS)-8-allyloxy-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]di N-[(2R,4aR,6S,7S,8R,8aS)-8-allyl…

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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) 2.84 8.67 -10.24 1 7 0 75 439.508 8 ↓

Analogs

22049897
22049897
22049903
22049903
22049909
22049909
22049913
22049913
35636409
35636409

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aS,6S,7S,8R,8aS)-8-allyloxy-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]di N-[(2R,4aS,6S,7S,8R,8aS)-8-allyl…

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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) 2.84 9.41 -17.14 1 7 0 75 439.508 8 ↓

Analogs

4288731
4288731

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Popular Name: (2R)-2-[[(2R,4aS,6S,7S,8R,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d] (2R)-2-[[(2R,4aS,6S,7S,8R,8aS)-7…

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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) 1.80 9.98 -51.1 1 9 -1 115 470.498 8 ↓

Analogs

4288731
4288731

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R,4aR,6S,7S,8R,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d] (2R)-2-[[(2R,4aR,6S,7S,8R,8aS)-7…

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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) 1.80 9.45 -55.27 1 9 -1 115 470.498 8 ↓

Analogs

4288731
4288731

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2S,4aS,6S,7S,8R,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d] (2R)-2-[[(2S,4aS,6S,7S,8R,8aS)-7…

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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) 1.80 8.88 -53.62 1 9 -1 115 470.498 8 ↓

Analogs

4288731
4288731

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2S,4aR,6S,7S,8R,8aS)-7-acetamido-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d] (2R)-2-[[(2S,4aR,6S,7S,8R,8aS)-7…

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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) 1.80 9.03 -54.06 1 9 -1 115 470.498 8 ↓

Analogs

38600420
38600420
38600423
38600423
38600426
38600426
44699125
44699125
44699126
44699126

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Popular Name: methyl methyl

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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) 2.42 10.06 -20.41 1 9 0 102 485.533 9 ↓

Analogs

14610922
14610922
14610925
14610925
22050145
22050145
22050150
22050150
35636433
35636433

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 2.42 9.52 -12.62 1 9 0 102 485.533 9 ↓

Analogs

14610922
14610922
14610925
14610925
22050145
22050145
22050150
22050150
35636433
35636433

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 2.42 8.97 -12.14 1 9 0 102 485.533 9 ↓

Analogs

14610922
14610922
14610925
14610925
22050145
22050145
22050150
22050150
35636433
35636433

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 2.42 9.11 -11.31 1 9 0 102 485.533 9 ↓

Analogs

4530738
4530738
4530739
4530739

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,6R,7R,8R,8aR)-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (2S,4aS,6R,7R,8R,8aR)-6-benzylox…

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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) 2.01 4.17 -10.04 2 6 0 77 358.39 4 ↓

Analogs

4530738
4530738
4530739
4530739

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,6R,7S,8R,8aR)-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (2S,4aS,6R,7S,8R,8aR)-6-benzylox…

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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) 2.01 4.8 -10.08 2 6 0 77 358.39 4 ↓

Analogs

4530738
4530738
4530739
4530739

Draw Identity 99% 90% 80% 70%

Popular Name: Benzyl 4,6-O-benzylidine-b-D-galactopyranoside Benzyl 4,6-O-benzylidine-b-D-gal…

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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) 2.01 4.33 -11.31 2 6 0 77 358.39 4 ↓

Analogs

4530738
4530738
4530739
4530739

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,6R,7S,8R,8aR)-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (2S,4aR,6R,7S,8R,8aR)-6-benzylox…

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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) 2.01 5.1 -12.94 2 6 0 77 358.39 4 ↓

Parameters Provided:

ring.id = 20417
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 20417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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