UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-3-(4H-furo[2,3-d]pyrrole-5-carbonylamino)urea 1-(2,5-dimethylphenyl)-3-(4H-fur…

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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) 2.64 4.37 -15.94 4 7 0 99 312.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylphenyl)-3-(4H-furo[2,3-d]pyrrole-5-carbonylamino)urea 1-(3,5-dimethylphenyl)-3-(4H-fur…

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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) 2.64 4.18 -15.9 4 7 0 99 312.329 3 ↓

Analogs

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Popular Name: 1-(2,5-dimethoxyphenyl)-3-(4H-furo[2,3-d]pyrrole-5-carbonylamino)urea 1-(2,5-dimethoxyphenyl)-3-(4H-fu…

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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) 1.86 1.56 -17.48 4 9 0 118 344.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dimethylphenyl)-3-(4H-furo[2,3-d]pyrrole-5-carbonylamino)urea 1-(2,3-dimethylphenyl)-3-(4H-fur…

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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) 2.62 4.26 -15.91 4 7 0 99 312.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dimethoxyphenyl)-1-[(4-methylfuro[2,3-d]pyrrole-5-carbonyl)amino]urea 3-(2,4-dimethoxyphenyl)-1-[(4-me…

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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 3.17 -14.17 3 9 0 107 358.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-methylfuro[2,3-d]pyrrole-5-carbonyl)amino]-3-(3,4,5-trimethoxyphenyl)urea 1-[(4-methylfuro[2,3-d]pyrrole-5…

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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) 1.52 3.61 -18.97 3 10 0 116 388.38 6 ↓

Parameters Provided:

ring.id = 253863
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 = 253863 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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