UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: propyl 2-{[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate propyl 2-{[(4-chloro-1-methyl-1H…

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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) 4.20 0.68 -12.73 1 6 0 73 395.912 6 ↓

Analogs

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Popular Name: propyl 2-{[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate propyl 2-{[(4-chloro-1-methyl-1H…

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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) 4.20 0.68 -12.78 1 6 0 73 395.912 6 ↓

Analogs

2781500
2781500
2775026
2775026

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

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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) 3.13 -1.71 -19.08 3 9 0 135 419.507 5 ↓

Analogs

2781499
2781499
2763015
2763015

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

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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) 3.13 -1.71 -19.06 3 9 0 135 419.507 5 ↓

Analogs

2781595
2781595
2782495
2782495
2782496
2782496

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Popular Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-4-nitro-pyrazole-3-c 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) 4.07 2.63 -14.37 1 8 0 116 401.492 4 ↓

Analogs

2782495
2782495
2782496
2782496
2781594
2781594

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Popular Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-4-nitro-pyrazole-3-c 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) 4.07 2.63 -14.34 1 8 0 116 401.492 4 ↓

Analogs

2782105
2782105

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

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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) 2.66 -3.94 -14.28 3 6 0 90 411.325 3 ↓

Analogs

2782104
2782104

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

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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) 2.66 -3.94 -14.27 3 6 0 90 411.325 3 ↓

Analogs

2782178
2782178

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Popular Name: 4-bromo-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-pyrazole-3-carbo 4-bromo-N-[(6S)-3-cyano-6-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) 3.59 0.4 -10.12 1 5 0 70 393.31 2 ↓

Analogs

2782177
2782177

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Popular Name: 4-bromo-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-pyrazole-3-carbo 4-bromo-N-[(6R)-3-cyano-6-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) 3.59 0.4 -10.1 1 5 0 70 393.31 2 ↓

Analogs

2782451
2782451

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

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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) 3.58 -1.31 -11.82 3 6 0 90 396.463 5 ↓

Analogs

2782450
2782450

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

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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) 3.58 -1.36 -13.53 3 6 0 90 396.463 5 ↓

Analogs

2782496
2782496
2781594
2781594
2781595
2781595

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Popular Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carbo 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) 2.74 1.71 -14.57 1 8 0 116 359.411 3 ↓

Analogs

2781594
2781594
2781595
2781595

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Popular Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carbo 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) 2.74 1.71 -14.55 1 8 0 116 359.411 3 ↓

Analogs

2782530
2782530
2776628
2776628

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Popular Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-(difluoromethyl)pyrazole-3-carb 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) 4.52 3.03 -7.83 1 5 0 70 378.448 4 ↓

Analogs

2776628
2776628
2782529
2782529

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Popular Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-(difluoromethyl)pyrazole-3-carb 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) 4.52 2.98 -9.99 1 5 0 70 378.448 4 ↓

Analogs

2784545
2784545

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Popular Name: (6S)-6-tert-butyl-2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene- (6S)-6-tert-butyl-2-[[1-(difluor…

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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) 4.59 2.71 -10.28 1 6 0 73 411.474 6 ↓

Analogs

2784544
2784544

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Popular Name: (6R)-6-tert-butyl-2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene- (6R)-6-tert-butyl-2-[[1-(difluor…

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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) 4.59 2.66 -12.24 1 6 0 73 411.474 6 ↓

Analogs

2791617
2791617

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

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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) 5.07 9.9 -9.58 1 5 0 71 435.391 4 ↓

Analogs

2791616
2791616

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

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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) 5.07 9.9 -9.58 1 5 0 71 435.391 4 ↓

Analogs

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Popular Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-isopropyl-5-methyl-pyrazole-3-carbo 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) 3.60 8.99 -9.5 1 5 0 71 342.468 3 ↓

Analogs

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Popular Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-isopropyl-5-methyl-pyrazole-3-carbo 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) 3.60 8.99 -9.5 1 5 0 71 342.468 3 ↓

Parameters Provided:

ring.id = 231057
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 231057 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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