UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-amino-1-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazole-4-sulfonamide 3-amino-1-methyl-N-[(4R)-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) 0.98 2.09 -13.12 3 6 0 90 312.42 3 ↓

Analogs

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Popular Name: 3-amino-1-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazole-4-sulfonamide 3-amino-1-methyl-N-[(4S)-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) 0.98 2.1 -11.99 3 6 0 90 312.42 3 ↓

Analogs

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Popular Name: 3-amino-1-ethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazole-4-sulfonamide 3-amino-1-ethyl-N-[(4R)-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) 1.36 2.95 -12.75 3 6 0 90 326.447 4 ↓

Analogs

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Popular Name: 3-amino-1-ethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrazole-4-sulfonamide 3-amino-1-ethyl-N-[(4S)-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) 1.36 2.97 -11.74 3 6 0 90 326.447 4 ↓

Analogs

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Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazole-4-sulfonamide N-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 1.31 1.82 -12.42 2 5 0 75 283.378 3 ↓

Analogs

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Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazole-4-sulfonamide N-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 1.31 1.69 -11.49 2 5 0 75 283.378 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazole-4-sulfonamide 3,5-dimethyl-N-[(4R)-4,5,6,7-tet…

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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 3.19 -10.93 2 5 0 75 311.432 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazole-4-sulfonamide 3,5-dimethyl-N-[(4S)-4,5,6,7-tet…

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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 3.16 -10.16 2 5 0 75 311.432 3 ↓

Analogs

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Popular Name: 5-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazole-4-sulfonamide 5-methyl-N-[(4R)-4,5,6,7-tetrahy…

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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) 1.53 2.47 -13.11 2 5 0 75 297.405 3 ↓

Analogs

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Popular Name: 5-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1H-pyrazole-4-sulfonamide 5-methyl-N-[(4S)-4,5,6,7-tetrahy…

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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) 1.53 2.37 -12.31 2 5 0 75 297.405 3 ↓

Parameters Provided:

ring.id = 211773
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 = 211773 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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