UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(benzothiophen-2-yl)-2,4-dimethyl-pyrazol-3-amine 5-(benzothiophen-2-yl)-2,4-dimet…

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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 6.76 -10.15 2 3 0 44 243.335 1 ↓
Mid Mid (pH 6-8) 3.13 6.92 -27.61 3 3 1 45 244.343 1 ↓

Analogs

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Popular Name: 5-(benzothiophen-2-yl)-2-methyl-pyrazol-3-amine 5-(benzothiophen-2-yl)-2-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) 2.76 6.21 -9.84 2 3 0 44 229.308 1 ↓
Mid Mid (pH 6-8) 2.76 6.34 -27.84 3 3 1 45 230.316 1 ↓

Analogs

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Popular Name: 2-[5-amino-3-(benzothiophen-2-yl)pyrazol-1-yl]ethanol 2-[5-amino-3-(benzothiophen-2-yl…

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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) 2.13 3.73 -9.84 3 4 0 64 259.334 3 ↓
Lo Low (pH 4.5-6) 2.13 3.86 -28.51 4 4 1 65 260.342 3 ↓

Analogs

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Popular Name: 5-(benzothiophen-2-yl)-4-ethyl-2-methyl-pyrazol-3-amine 5-(benzothiophen-2-yl)-4-ethyl-2…

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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 7.51 -10.01 2 3 0 44 257.362 2 ↓
Mid Mid (pH 6-8) 3.60 7.67 -27.64 3 3 1 45 258.37 2 ↓

Parameters Provided:

ring.id = 617262
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 = 617262 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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