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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

1529414
1529414

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Popular Name: [(1S,3R,5R,6S,8R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[3.3.0]oc [(1S,3R,5R,6S,8R)-8-(6-aminopuri…

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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) -1.71 -1.23 -50.57 3 11 -1 158 328.201 2 ↓

Analogs

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Popular Name: (S)-phenyl-(3,3,4,4-tetramethyl-1-oxo-2,5-dioxa-1$l^{5}-phosphacyclopent-1-yl)methanol (S)-phenyl-(3,3,4,4-tetramethyl-…

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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 4.43 -11.67 1 4 0 56 270.265 2 ↓

Analogs

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Popular Name: [(1R,3R,5S,7S,8R)-7-[(4S,5S)-2-(butanoylamino)-6-oxo-4,5-dihydro-1H-purin-9-yl]-3-hydroxy-3-oxo-2,4, [(1R,3R,5S,7S,8R)-7-[(4S,5S)-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) -0.78 1.24 -109.11 1 14 -2 187 471.363 7 ↓

Analogs

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Popular Name: [(1R,3R,5S,7S,8R)-7-[(4R,5S)-2-(butanoylamino)-6-oxo-4,5-dihydro-1H-purin-9-yl]-3-hydroxy-3-oxo-2,4, [(1R,3R,5S,7S,8R)-7-[(4R,5S)-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) -0.78 1.61 -101.37 1 14 -2 187 471.363 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3R,5S,7S,8R)-7-[(4S,5R)-2-(butanoylamino)-6-oxo-4,5-dihydro-1H-purin-9-yl]-3-hydroxy-3-oxo-2,4, [(1R,3R,5S,7S,8R)-7-[(4S,5R)-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) -0.78 2.16 -108.95 1 14 -2 187 471.363 7 ↓

Analogs

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Popular Name: [(1R,3R,5S,7S,8R)-7-[(4R,5R)-2-(butanoylamino)-6-oxo-4,5-dihydro-1H-purin-9-yl]-3-hydroxy-3-oxo-2,4, [(1R,3R,5S,7S,8R)-7-[(4R,5R)-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) -0.78 1.37 -105.46 1 14 -2 187 471.363 7 ↓

Analogs

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Popular Name: (1S,3S)-3-hydroxy-N-methyl-3-oxo-2,4-dioxa-3$l^{5}-phosphacyclopentan-1-amine (1S,3S)-3-hydroxy-N-methyl-3-oxo…

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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) -1.09 -2.51 -45.59 1 5 -1 71 152.066 1 ↓
Mid Mid (pH 6-8) -1.09 -0.57 -59.84 2 5 0 75 153.074 1 ↓

Analogs

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Popular Name: (1R,3S)-3-hydroxy-N-methyl-3-oxo-2,4-dioxa-3$l^{5}-phosphacyclopentan-1-amine (1R,3S)-3-hydroxy-N-methyl-3-oxo…

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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) -1.09 -2.52 -49.42 1 5 -1 71 152.066 1 ↓
Mid Mid (pH 6-8) -1.09 -0.54 -59.46 2 5 0 75 153.074 1 ↓

Analogs

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Popular Name: (1S,3R)-3-hydroxy-N-methyl-3-oxo-2,4-dioxa-3$l^{5}-phosphacyclopentan-1-amine (1S,3R)-3-hydroxy-N-methyl-3-oxo…

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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) -1.09 -2.51 -45.58 1 5 -1 71 152.066 1 ↓
Mid Mid (pH 6-8) -1.09 -0.57 -59.86 2 5 0 75 153.074 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-hydroxy-N-methyl-3-oxo-2,4-dioxa-3$l^{5}-phosphacyclopentan-1-amine (1R,3R)-3-hydroxy-N-methyl-3-oxo…

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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) -1.09 -2.52 -49.4 1 5 -1 71 152.066 1 ↓
Mid Mid (pH 6-8) -1.09 -0.54 -59.49 2 5 0 75 153.074 1 ↓

Analogs

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Popular Name: trihydroxy(oxo)BLAHone trihydroxy(oxo)BLAHone

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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) -1.23 -2.03 -60.69 3 10 -1 147 368.214 0 ↓
Hi High (pH 8-9.5) -1.23 -1.05 -116.24 2 10 -2 149 367.206 0 ↓

Analogs

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Popular Name: trihydroxy(oxo)BLAHone trihydroxy(oxo)BLAHone

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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) -1.23 -2.34 -60.63 3 10 -1 147 368.214 0 ↓
Hi High (pH 8-9.5) -1.23 -1.36 -116.85 2 10 -2 149 367.206 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: trihydroxy(oxo)BLAHone trihydroxy(oxo)BLAHone

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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) -1.23 -2.44 -57.04 3 10 -1 147 368.214 0 ↓
Hi High (pH 8-9.5) -1.23 -1.46 -111.78 2 10 -2 149 367.206 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: trihydroxy(oxo)BLAHone trihydroxy(oxo)BLAHone

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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) -1.23 -2.48 -59.55 3 10 -1 147 368.214 0 ↓
Hi High (pH 8-9.5) -1.23 -1.5 -116.09 2 10 -2 149 367.206 0 ↓

Parameters Provided:

ring.id = 4186
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 = 4186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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