UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 2.02 5.99 -15.43 1 8 0 96 429.564 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.39 6.92 -15.14 1 8 0 96 443.591 7 ↓

Analogs

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Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-mesyl-isonipecotamide N-(3-cyano-4,5,6,7-tetrahydroben…

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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) 1.94 -4.04 -14.51 1 6 0 90 367.496 3 ↓

Analogs

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Popular Name: 2-[(1-mesylisonipecotoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-isopropyl-ester 2-[(1-mesylisonipecotoyl)amino]-…

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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) 2.75 -4.13 -16.4 1 7 0 92 428.576 6 ↓

Analogs

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Popular Name: 2-[(1-mesylisonipecotoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-[(1R)-1-methylpro 2-[(1-mesylisonipecotoyl)amino]-…

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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) 3.25 -3.97 -16.33 1 7 0 92 442.603 7 ↓

Analogs

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Popular Name: 2-[(1-mesylisonipecotoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-[(1S)-1-methylpro 2-[(1-mesylisonipecotoyl)amino]-…

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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) 3.25 -3.97 -16.48 1 7 0 92 442.603 7 ↓

Analogs

21787898
21787898

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Popular Name: 2-[(1-mesylisonipecotoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-ethyl-ester 2-[(1-mesylisonipecotoyl)amino]-…

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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) 2.39 -4.39 -16.2 1 7 0 92 414.549 6 ↓

Analogs

21787898
21787898

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Popular Name: 2-[(1-mesylisonipecotoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-propyl-ester 2-[(1-mesylisonipecotoyl)amino]-…

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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) 2.89 -4.31 -15.97 1 7 0 92 428.576 7 ↓

Parameters Provided:

ring.id = 19133
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 = 19133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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