UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36636087
36636087
36636088
36636088
36636089
36636089
34953700
34953700
34953701
34953701

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Popular Name: (5S)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1R,2S)-2-phenylcyclopropyl]-2-furyl]-5H-pyrano[2,3-d]pyri (5S)-7-amino-1,3-dimethyl-2,4-di…

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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) 1.54 7.8 -15.12 2 8 0 116 416.437 3 ↓
Lo Low (pH 4.5-6) 1.54 8.24 -62.23 3 8 1 118 417.445 3 ↓

Analogs

36636088
36636088
36636089
36636089
36636086
36636086
34953700
34953700
34953701
34953701

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1R,2S)-2-phenylcyclopropyl]-2-furyl]-5H-pyrano[2,3-d]pyri (5R)-7-amino-1,3-dimethyl-2,4-di…

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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) 1.54 8.4 -14.73 2 8 0 116 416.437 3 ↓
Lo Low (pH 4.5-6) 1.54 8.73 -63.84 3 8 1 118 417.445 3 ↓

Analogs

36636089
36636089
36636086
36636086
36636087
36636087
34953700
34953700

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]-2-furyl]-5H-pyrano[2,3-d]pyri (5S)-7-amino-1,3-dimethyl-2,4-di…

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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) 1.54 8.23 -14.94 2 8 0 116 416.437 3 ↓
Lo Low (pH 4.5-6) 1.54 8.65 -63.52 3 8 1 118 417.445 3 ↓

Analogs

36636086
36636086
36636087
36636087
36636088
36636088

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]-2-furyl]-5H-pyrano[2,3-d]pyri (5R)-7-amino-1,3-dimethyl-2,4-di…

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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) 1.54 8.31 -14.07 2 8 0 116 416.437 3 ↓
Lo Low (pH 4.5-6) 1.54 8.74 -62.72 3 8 1 118 417.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-amino-5-[3-chloro-4-(cyanomethoxy)-5-ethoxy-phenyl]-2,4-diketo-1-phenyl-5H-pyrano[2,3-d]pyrim (5R)-7-amino-5-[3-chloro-4-(cyan…

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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) 2.18 0.21 -15.83 3 10 0 156 491.891 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-amino-5-[3-chloro-4-(cyanomethoxy)-5-ethoxy-phenyl]-2,4-diketo-1-phenyl-5H-pyrano[2,3-d]pyrim (5S)-7-amino-5-[3-chloro-4-(cyan…

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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) 2.18 6.84 -15.8 3 10 0 156 491.891 6 ↓

Analogs

4551067
4551067

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Popular Name: 8-amino-10-(2,3-dichlorophenyl)-2,4-dioxo-7-oxa-3,5-diazabicyclo[4.4.0]deca-8,11-diene-9-carbonitril 8-amino-10-(2,3-dichlorophenyl)-…

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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) 1.49 -4.12 -16.13 4 7 0 124 351.149 1 ↓

Analogs

4551066
4551066

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Popular Name: 8-amino-10-(2,3-dichlorophenyl)-2,4-dioxo-7-oxa-3,5-diazabicyclo[4.4.0]deca-8,11-diene-9-carbonitril 8-amino-10-(2,3-dichlorophenyl)-…

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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) 1.49 -4.12 -16.17 4 7 0 124 351.149 1 ↓

Parameters Provided:

ring.id = 101751
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 = 101751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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