UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-pyridin-3-amine 5-methyl-6-(1-methyltetrazol-5-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) 1.06 1.96 -13.86 2 6 0 83 222.277 2 ↓

Analogs

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Popular Name: 6-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-pyridine 6-chloro-2-(1-methyltetrazol-5-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) 1.97 4.49 -12.28 0 8 0 102 272.677 3 ↓

Analogs

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Popular Name: 2-tert-butoxy-6-(1-methyltetrazol-5-yl)sulfanyl-pyridin-3-amine 2-tert-butoxy-6-(1-methyltetrazo…

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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) 2.05 3.98 -10.98 2 7 0 92 280.357 4 ↓

Analogs

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Popular Name: 2-isobutoxy-6-(1-methyltetrazol-5-yl)sulfanyl-pyridin-3-amine 2-isobutoxy-6-(1-methyltetrazol-…

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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) 1.99 2.7 -12.79 2 7 0 92 280.357 5 ↓

Analogs

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Popular Name: 6-(1-methyltetrazol-5-yl)sulfanyl-2-propoxy-pyridin-3-amine 6-(1-methyltetrazol-5-yl)sulfany…

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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) 1.75 2.02 -12.99 2 7 0 92 266.33 5 ↓

Analogs

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Popular Name: 2-isopropoxy-6-(1-methyltetrazol-5-yl)sulfanyl-pyridin-3-amine 2-isopropoxy-6-(1-methyltetrazol…

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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) 1.61 2.21 -12.12 2 7 0 92 266.33 4 ↓

Analogs

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Popular Name: 2-ethoxy-6-(1-methyltetrazol-5-yl)sulfanyl-pyridin-3-amine 2-ethoxy-6-(1-methyltetrazol-5-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) 1.24 1.22 -13.08 2 7 0 92 252.303 4 ↓

Analogs

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Popular Name: 2-methoxy-6-(1-methyltetrazol-5-yl)sulfanyl-pyridin-3-amine 2-methoxy-6-(1-methyltetrazol-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) 0.87 0.28 -13.05 2 7 0 92 238.276 3 ↓

Analogs

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Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-5-nitro-pyridine 2-(1-allyltetrazol-5-yl)sulfanyl…

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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) 1.81 5.64 -15.02 0 8 0 102 264.27 5 ↓

Analogs

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Popular Name: 5-amino-2-(1-methyltetrazol-5-yl)sulfanyl-pyridine-3-carboxamide 5-amino-2-(1-methyltetrazol-5-yl…

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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) -0.57 -1.83 -17.49 4 8 0 126 251.275 3 ↓

Parameters Provided:

ring.id = 23087
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 = 23087 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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