UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2786753
2786753

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Popular Name: 1-(1,5-dimethylpyrazol-4-yl)tetrazole 1-(1,5-dimethylpyrazol-4-yl)tetr…

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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) -0.38 3.12 -11.35 0 6 0 61 164.172 1 ↓

Analogs

2786753
2786753

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Popular Name: 1-(1,3,5-trimethylpyrazol-4-yl)tetrazole 1-(1,3,5-trimethylpyrazol-4-yl)t…

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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) -0.16 3.61 -10.54 0 6 0 61 178.199 1 ↓

Analogs

2786573
2786573
2786444
2786444

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Popular Name: 1-(1,3-dimethylpyrazol-4-yl)tetrazole 1-(1,3-dimethylpyrazol-4-yl)tetr…

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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) -0.39 3.15 -14.64 0 6 0 61 164.172 1 ↓

Analogs

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Popular Name: 1-[1-(2-methoxyethyl)pyrazol-4-yl]tetrazole-5-thiol 1-[1-(2-methoxyethyl)pyrazol-4-y…

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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) 0.09 2.14 -37.23 0 7 -1 71 225.257 4 ↓

Analogs

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Popular Name: 2-[1-[1-(2-methoxyethyl)pyrazol-4-yl]tetrazol-5-yl]sulfanylacetic 2-[1-[1-(2-methoxyethyl)pyrazol-…

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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) -0.46 3.45 -42.77 0 9 -1 111 283.293 7 ↓

Parameters Provided:

ring.id = 235557
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 = 235557 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=235557&filter.purchasability=annotated

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