UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42352734
42352734

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Popular Name: 4-amino-N,N-bis(2-thienylmethyl)-1H-pyrrole-2-carboxamide 4-amino-N,N-bis(2-thienylmethyl)…

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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) 2.54 7.26 -9.06 3 4 0 62 317.439 5 ↓
Mid Mid (pH 6-8) 2.10 6.49 -54.04 3 4 1 60 318.447 5 ↓

Analogs

25086229
25086229
8704321
8704321
11404230
11404230

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Popular Name: ethyl ethyl

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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) 3.86 12.22 -11.34 1 5 0 62 402.541 8 ↓

Parameters Provided:

ring.id = 16404
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 = 16404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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