UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-amino-N-ethyl-4-(3-methyl-2-thienyl)thiophene-3-carboxamide 2-amino-N-ethyl-4-(3-methyl-2-th…

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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) 1.93 4.67 -6.77 2 3 0 53 266.391 3 ↓
Mid Mid (pH 6-8) 2.58 3.7 -10.86 3 3 0 55 266.391 3 ↓

Analogs

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Popular Name: 2-amino-4-(3-methyl-2-thienyl)-N-propyl-thiophene-3-carboxamide 2-amino-4-(3-methyl-2-thienyl)-N…

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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) 2.43 5.43 -6.6 2 3 0 53 280.418 4 ↓
Mid Mid (pH 6-8) 3.09 4.47 -10.74 3 3 0 55 280.418 4 ↓

Analogs

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Popular Name: 2-amino-N-isopropyl-4-(3-methyl-2-thienyl)thiophene-3-carboxamide 2-amino-N-isopropyl-4-(3-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) 2.23 4.84 -11.74 2 3 0 53 280.418 3 ↓
Mid Mid (pH 6-8) 2.88 4.42 -10.67 3 3 0 55 280.418 3 ↓

Analogs

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Popular Name: 2-amino-N,N-dimethyl-4-(3-methyl-2-thienyl)thiophene-3-carboxamide 2-amino-N,N-dimethyl-4-(3-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) 1.36 5.26 -12.57 1 3 0 44 266.391 2 ↓
Mid Mid (pH 6-8) 1.98 4.75 -11.69 2 3 0 46 266.391 2 ↓

Analogs

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Popular Name: 2-amino-N,N-diethyl-4-(3-methyl-2-thienyl)thiophene-3-carboxamide 2-amino-N,N-diethyl-4-(3-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) 2.55 6.79 -10.66 1 3 0 44 294.445 4 ↓
Mid Mid (pH 6-8) 2.73 6.2 -10.95 2 3 0 46 294.445 4 ↓

Parameters Provided:

ring.id = 520097
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 = 520097 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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