UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one 5-(thiazol-5-ylmethylamino)-1,3-…

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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) 1.48 1.19 -11.25 3 5 0 74 246.295 3 ↓

Analogs

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Popular Name: 5-bromo-6-(thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one 5-bromo-6-(thiazol-5-ylmethylami…

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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) 2.21 1.92 -10.16 3 5 0 74 325.191 3 ↓

Analogs

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Popular Name: 5-[(2-tert-butylthiazol-5-yl)methylamino]-1,3-dihydrobenzimidazol-2-one 5-[(2-tert-butylthiazol-5-yl)met…

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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) 2.91 3.78 -10.78 3 5 0 74 302.403 4 ↓

Analogs

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Popular Name: 5-[[(1R)-1-(4-methylthiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1R)-1-(4-methylthiazol-5-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) 2.26 2.4 -11.49 3 5 0 74 274.349 3 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(4-methylthiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1S)-1-(4-methylthiazol-5-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) 2.26 2.42 -11.5 3 5 0 74 274.349 3 ↓

Analogs

37797541
37797541

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Popular Name: 5-bromo-6-[[(1R)-1-(4-methylthiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1R)-1-(4-methylthia…

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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) 2.99 3.13 -10.22 3 5 0 74 353.245 3 ↓

Analogs

37797541
37797541

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-[[(1S)-1-(4-methylthiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1S)-1-(4-methylthia…

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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) 2.99 3.14 -10.29 3 5 0 74 353.245 3 ↓

Parameters Provided:

ring.id = 153570
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 = 153570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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