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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methylBLAH methylBLAH

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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) 0.93 2.43 -9.44 0 2 0 30 186.191 0 ↓

Analogs

18067720
18067720
5515598
5515598
5532325
5532325

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Popular Name: (3S,4R)-1-[(1R)-2-chloro-1-methyl-ethoxy]-3,4-dimethyl-3,4-dinitro-1$l^{5}-phosphacyclopentane (3S,4R)-1-[(1R)-2-chloro-1-methy…

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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) 0.91 7.19 -18.09 0 8 0 118 314.662 5 ↓

Analogs

3173266
3173266
3173267
3173267

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Popular Name: (3S,4R)-1-(2-chloroethoxy)-3,4-dimethyl-3,4-dinitro-1$l^{5}-phosphacyclopentane (3S,4R)-1-(2-chloroethoxy)-3,4-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) 0.55 6.27 -16.67 0 8 0 118 300.635 5 ↓

Analogs

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Popular Name: (1S,3S)-3-hydroxy-3-oxo-3$l^{5}-phosphacyclopentane-1-carboxylic (1S,3S)-3-hydroxy-3-oxo-3$l^{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) -0.88 2.09 -97.72 0 4 -2 80 162.081 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-hydroxy-3-oxo-3$l^{5}-phosphacyclopentane-1-carboxylic (1S,3R)-3-hydroxy-3-oxo-3$l^{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) -0.88 2.09 -97.74 0 4 -2 80 162.081 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-hydroxy-3-oxo-3$l^{5}-phosphacyclopentane-1-carboxylic (1R,3S)-3-hydroxy-3-oxo-3$l^{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) -0.88 2.09 -98.59 0 4 -2 80 162.081 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-hydroxy-3-oxo-3$l^{5}-phosphacyclopentane-1-carboxylic (1R,3R)-3-hydroxy-3-oxo-3$l^{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) -0.88 2.09 -98.58 0 4 -2 80 162.081 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S)-3-hydroxy-3-oxo-3$l^{5}-phosphacyclopent-1-yl]methanol [(1S,3S)-3-hydroxy-3-oxo-3$l^{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) -0.76 -1.17 -38.14 1 3 -1 60 149.106 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3R)-3-hydroxy-3-oxo-3$l^{5}-phosphacyclopent-1-yl]methanol [(1S,3R)-3-hydroxy-3-oxo-3$l^{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) -0.76 -1.17 -38.14 1 3 -1 60 149.106 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3S)-3-hydroxy-3-oxo-3$l^{5}-phosphacyclopent-1-yl]methanol [(1R,3S)-3-hydroxy-3-oxo-3$l^{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) -0.76 -1.17 -37.84 1 3 -1 60 149.106 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3R)-3-hydroxy-3-oxo-3$l^{5}-phosphacyclopent-1-yl]methanol [(1R,3R)-3-hydroxy-3-oxo-3$l^{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) -0.76 -1.17 -37.84 1 3 -1 60 149.106 1 ↓

Parameters Provided:

ring.id = 2102
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 = 2102 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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