UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-amine 1-(1-methyltetrazol-5-yl)-1,2,4-…

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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) -1.34 5.33 -7.45 2 8 0 100 166.148 1 ↓

Analogs

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Popular Name: 1-(1-methyltetrazol-5-yl)-1,2,4-triazole-3-carbonitrile 1-(1-methyltetrazol-5-yl)-1,2,4-…

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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) -1.28 5.18 -6.99 0 8 0 98 176.143 1 ↓

Analogs

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Popular Name: [1-(1-methyltetrazol-5-yl)-1,2,4-triazol-3-yl]methanamine [1-(1-methyltetrazol-5-yl)-1,2,4…

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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) -1.85 2.88 -51.49 3 8 1 102 181.183 2 ↓
Hi High (pH 8-9.5) -1.85 2.49 -7.3 2 8 0 100 180.175 2 ↓

Analogs

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Popular Name: 1-(1-methyltetrazol-5-yl)-1,2,4-triazole-3-carbothioamide 1-(1-methyltetrazol-5-yl)-1,2,4-…

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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) -1.24 4.21 -11.66 2 8 0 100 210.226 2 ↓

Parameters Provided:

ring.id = 312519
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 = 312519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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