UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(5-nitro-2-furyl)methylamino]-1,3-dihydrobenzimidazol-2-one 5-[(5-nitro-2-furyl)methylamino]…

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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) 1.65 2.75 -15.94 3 8 0 120 274.236 4 ↓

Analogs

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Popular Name: 5-[(5-iodo-2-furyl)methylamino]-1,3-dihydrobenzimidazol-2-one 5-[(5-iodo-2-furyl)methylamino]-…

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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) 2.77 3.25 -9.88 3 5 0 74 355.135 3 ↓

Analogs

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Popular Name: 5-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]-1,3-dihydrobenzimidazol-2-one 5-[[5-(methylsulfanylmethyl)-2-f…

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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) 2.30 4.09 -11.33 3 5 0 74 289.36 5 ↓

Analogs

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Popular Name: 5-bromo-6-[(5-nitro-2-furyl)methylamino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[(5-nitro-2-furyl)meth…

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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) 2.38 3.48 -14.77 3 8 0 120 353.132 4 ↓

Analogs

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Popular Name: 5-bromo-6-[(5-iodo-2-furyl)methylamino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[(5-iodo-2-furyl)methy…

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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) 3.51 3.98 -8.88 3 5 0 74 434.031 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[5-(methylsulfanylmet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.03 4.82 -10.29 3 5 0 74 368.256 5 ↓

Parameters Provided:

ring.id = 548624
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 = 548624 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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