UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-6-(2,6-diiodopurin-9-yl)-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]di (3aS,4S,6R,6aR)-6-(2,6-diiodopur…

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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) 2.39 5.67 -10.2 1 9 0 100 585.14 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-6-(2,6-diiodopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (3aS,4S,6R,6aR)-6-(2,6-diiodopur…

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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) 2.02 4.72 -11 1 9 0 100 571.113 2 ↓

Analogs

22054270
22054270

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,4R,6R,6aS)-6-(6-amino-2-chloro-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]di [(3aR,4R,6R,6aS)-6-(6-amino-2-ch…

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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) 1.08 0.18 -10.43 3 9 0 118 341.755 2 ↓

Analogs

6202172
6202172

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Popular Name: [(3aR,4R,6R,6aS)-6-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl [(3aR,4R,6R,6aS)-6-(6-chloropuri…

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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) 0.47 2.02 -10.23 1 8 0 92 326.74 2 ↓

Analogs

22054638
22054638
22054642
22054642

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloro-2',3'-O-isopropylideneadenosine-5'-N-ethylcarboxamide 2-Chloro-2',3'-O-isopropylidenea…

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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) 1.19 2.44 -11.06 3 10 0 126 382.808 3 ↓

Analogs

22055699
22055699
22058800
22058800

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-6-[6-[2-cyanoethyl(methyl)amino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydr (3aS,4S,6R,6aR)-6-[6-[2-cyanoeth…

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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) 0.27 8.14 -15.46 1 11 0 127 415.454 6 ↓

Analogs

49031342
49031342
49031345
49031345
49031348
49031348
49031350
49031350
22055699
22055699

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-6-[6-[bis[(2R)-2-hydroxypropyl]amino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetr (3aS,4S,6R,6aR)-6-[6-[bis[(2R)-2…

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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) 0.28 4.3 -15.1 3 12 0 144 464.523 8 ↓

Analogs

49031342
49031342
49031345
49031345
49031348
49031348
49031350
49031350
22055699
22055699

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-N-ethyl-6-[6-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]purin-9-yl]-2,2-dim (3aS,4S,6R,6aR)-N-ethyl-6-[6-[[(…

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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) 0.28 3.93 -13.54 3 12 0 144 464.523 8 ↓

Analogs

49031342
49031342
49031345
49031345
49031348
49031348
49031350
49031350
22055699
22055699

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6R,6aR)-6-[6-[bis[(2S)-2-hydroxypropyl]amino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetr (3aS,4S,6R,6aR)-6-[6-[bis[(2S)-2…

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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) 0.28 3.65 -14.07 3 12 0 144 464.523 8 ↓

Parameters Provided:

ring.id = 197992
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 = 197992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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