UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38600035
38600035
38600038
38600038
44699131
44699131
44699132
44699132
44699133
44699133

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3aS,4R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2- (2R)-2-[(3aS,4R,6S,6aR)-6-benzyl…

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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) 0.53 1.29 -39.64 4 6 1 85 310.37 5 ↓
Hi High (pH 8-9.5) 0.53 0.84 -6.74 3 6 0 83 309.362 5 ↓

Analogs

38600035
38600035
38600038
38600038
44699131
44699131
44699132
44699132
44699133
44699133

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3aR,4R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2- (2R)-2-[(3aR,4R,6S,6aR)-6-benzyl…

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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) 0.53 1.45 -44.35 4 6 1 85 310.37 5 ↓
Hi High (pH 8-9.5) 0.53 1.14 -5.72 3 6 0 83 309.362 5 ↓

Analogs

38600035
38600035
38600038
38600038
44699131
44699131
44699132
44699132
44699133
44699133

Draw Identity 99% 90% 80% 70%

Popular Name: Benzyl 5-amino-5-deoxy-2,3-O-isopropylidene-a-D-mannofuranoside Benzyl 5-amino-5-deoxy-2,3-O-iso…

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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) 0.53 1.03 -44.81 4 6 1 85 310.37 5 ↓
Hi High (pH 8-9.5) 0.53 0.73 -6.73 3 6 0 83 309.362 5 ↓

Analogs

6050298
6050298
6050299
6050299
6050302
6050302

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(3aS,4R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]eth (1R)-1-[(3aS,4R,6S,6aR)-6-benzyl…

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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) 1.02 1.16 -8.96 2 6 0 77 310.346 5 ↓

Analogs

6050298
6050298
6050299
6050299
6050302
6050302

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(3aS,4S,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]eth (1R)-1-[(3aS,4S,6S,6aR)-6-benzyl…

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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) 1.02 1.17 -9.63 2 6 0 77 310.346 5 ↓

Analogs

6050298
6050298
6050299
6050299
6050302
6050302

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(3aR,4R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]eth (1R)-1-[(3aR,4R,6S,6aR)-6-benzyl…

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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) 1.02 1.07 -7.44 2 6 0 77 310.346 5 ↓

Analogs

6050298
6050298
6050299
6050299
6050302
6050302

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(3aR,4S,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]eth (1R)-1-[(3aR,4S,6S,6aR)-6-benzyl…

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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) 1.02 2.75 -9.54 2 6 0 77 310.346 5 ↓

Analogs

38600038
38600038
44167586
44167586
44699131
44699131
44699132
44699132
44699133
44699133

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3aS,4S,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2- (2R)-2-[(3aS,4S,6S,6aR)-6-benzyl…

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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) 0.53 1.16 -39.23 4 6 1 85 310.37 5 ↓
Hi High (pH 8-9.5) 0.53 0.88 -7.41 3 6 0 83 309.362 5 ↓

Analogs

44167586
44167586
44699131
44699131
44699132
44699132
44699133
44699133
22050199
22050199

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3aR,4S,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2- (2R)-2-[(3aR,4S,6S,6aR)-6-benzyl…

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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) 0.53 1.6 -44.95 4 6 1 85 310.37 5 ↓
Hi High (pH 8-9.5) 0.53 2.16 -7.3 3 6 0 83 309.362 5 ↓

Analogs

38600438
38600438
44167581
44167581
44699166
44699166
44699167
44699167
44699168
44699168

Draw Identity 99% 90% 80% 70%

Popular Name: Benzyl2,3-O-Isopropylidene-¦Á-D-mannopentenofuranoside-6-aldehyde Benzyl2,3-O-Isopropylidene-¦Á-D-…

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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) 2.12 6.14 -8.11 0 5 0 54 278.304 4 ↓

Analogs

44167581
44167581
44699166
44699166
44699167
44699167
44699168
44699168
38600435
38600435

Draw Identity 99% 90% 80% 70%

Popular Name: Benzyl2,3-O-Isopropylidene-¦Á-D-mannopentenofuranoside-6-aldehyde Benzyl2,3-O-Isopropylidene-¦Á-D-…

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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) 2.12 6.34 -10.75 0 5 0 54 278.304 4 ↓

Parameters Provided:

ring.id = 20425
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 = 20425 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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