UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(1,2,4-triazol-4-yl)pyridine-3-carboxylic 5-(1,2,4-triazol-4-yl)pyridine-3…

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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) -0.36 6.25 -44.11 0 6 -1 84 189.154 2 ↓

Analogs

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Popular Name: (2S)-N-allyl-2-[[4-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-allyl-2-[[4-(6-methoxy-3-…

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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) 1.30 5.17 -12.48 1 7 0 82 319.39 7 ↓

Analogs

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Popular Name: (2R)-N-allyl-2-[[4-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-allyl-2-[[4-(6-methoxy-3-…

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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) 1.30 5.17 -12.49 1 7 0 82 319.39 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.01 6.38 -13.88 0 7 0 79 294.336 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.42 6.31 -10.78 0 7 0 79 294.336 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.42 6.29 -10.73 0 7 0 79 294.336 6 ↓

Analogs

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Popular Name: (2R)-N-isopropyl-2-[[4-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-isopropyl-2-[[4-(6-methox…

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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) 1.33 5.41 -12.76 1 7 0 82 321.406 6 ↓

Analogs

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Popular Name: (2S)-N-isopropyl-2-[[4-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-isopropyl-2-[[4-(6-methox…

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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) 1.33 5.43 -12.88 1 7 0 82 321.406 6 ↓

Analogs

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Popular Name: 2-[[5-[(1S)-1-isopropoxyethyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(1S)-1-isopropoxyethyl]-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) 1.20 8.26 -49.23 0 7 -1 93 321.382 7 ↓

Analogs

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Popular Name: 2-[[5-[(1R)-1-isopropoxyethyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(1R)-1-isopropoxyethyl]-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) 1.20 8.09 -48.9 0 7 -1 93 321.382 7 ↓

Parameters Provided:

ring.id = 316106
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 = 316106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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