UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8428274
8428274
8428275
8428275
17082739
17082739
2763028
2763028
999370
999370

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Popular Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,5-trimethyl-pyrazole-4-carbox N-[(6S)-3-carbamoyl-6-methyl-4,5…

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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) 1.83 -3.06 -14.44 3 6 0 90 346.456 3 ↓

Analogs

8428274
8428274
8428275
8428275
17082739
17082739
2763028
2763028
999370
999370

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,5-trimethyl-pyrazole-4-carbox N-[(6R)-3-carbamoyl-6-methyl-4,5…

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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) 1.83 -3.06 -13.45 3 6 0 90 346.456 3 ↓

Analogs

2781779
2781779
2780633
2780633

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Popular Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,5-trimethyl-pyrazole-4-carboxamid N-[(6S)-3-cyano-6-methyl-4,5,6,7…

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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) 2.77 1.28 -10.01 1 5 0 70 328.441 2 ↓

Analogs

2780633
2780633
2781778
2781778

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3,5-trimethyl-pyrazole-4-carboxamid N-[(6R)-3-cyano-6-methyl-4,5,6,7…

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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) 2.77 1.28 -9.99 1 5 0 70 328.441 2 ↓

Analogs

2781882
2781882
2782550
2782550
2780302
2780302

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Popular Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-ethyl-pyrazole-4-carboxamide N-[(6S)-6-tert-butyl-3-cyano-4,5…

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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) 4.03 2.22 -9.14 1 5 0 70 356.495 4 ↓

Analogs

2782550
2782550
2780302
2780302
2781881
2781881

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-ethyl-pyrazole-4-carboxamide N-[(6R)-6-tert-butyl-3-cyano-4,5…

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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) 4.03 2.22 -9.12 1 5 0 70 356.495 4 ↓

Analogs

2780302
2780302
2782550
2782550

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-ethyl-pyrazole-4-carboxamide 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) 2.22 0.93 -9.68 1 5 0 70 300.387 3 ↓

Analogs

2793460
2793460
2764797
2764797
2764796
2764796

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Popular Name: 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-[(1R)-1-met 2-[(1-ethylpyrazole-4-carbonyl)a…

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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) 3.54 1.01 -11.82 1 6 0 73 375.494 7 ↓

Analogs

2793460
2793460
2764797
2764797
2764796
2764796

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-[(1S)-1-met 2-[(1-ethylpyrazole-4-carbonyl)a…

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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) 3.54 1.01 -11.7 1 6 0 73 375.494 7 ↓

Analogs

2792374
2792374
2792375
2792375

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

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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) 2.68 0.59 -11.78 1 6 0 73 347.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-propyl-pyrazole-4-carboxamid 3-methyl-N-[3-(methylcarbamoyl)-…

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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 6.3 -14.19 2 6 0 76 360.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-methylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic 2-[(1-methylpyrazole-4-carbonyl)…

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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) 1.67 6.56 -55.87 1 6 -1 87 304.351 3 ↓

Parameters Provided:

ring.id = 234007
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 = 234007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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