UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4167480
4167480
9192136
9192136
9192137
9192137
9860941
9860941
9860942
9860942

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-3-(3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-3-(3-methoxyphenyl)-4-(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) 2.56 2.91 -13.17 3 9 0 125 434.452 6 ↓
Ref Reference (pH 7) 2.56 3.57 -14.21 3 9 0 125 434.452 6 ↓
Lo Low (pH 4.5-6) 2.56 3.86 -67.27 4 9 1 126 435.46 6 ↓

Analogs

9192136
9192136
9192137
9192137
9860941
9860941
9860942
9860942
9860945
9860945

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-3-(3-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-3-(3-methoxyphenyl)-4-(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) 2.56 2.9 -14.68 3 9 0 125 434.452 6 ↓
Ref Reference (pH 7) 2.56 3.52 -16.17 3 9 0 125 434.452 6 ↓
Lo Low (pH 4.5-6) 2.56 3.82 -68.04 4 9 1 126 435.46 6 ↓

Analogs

4167512
4167512

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-3-(2-fluorophenyl)-4-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-3-(2-fluorophenyl)-4-(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) 3.04 3.93 -10.92 3 6 0 97 362.364 3 ↓

Analogs

4167510
4167510

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-3-(2-fluorophenyl)-4-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-3-(2-fluorophenyl)-4-(3-…

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) 3.04 3.46 -10.5 3 6 0 97 362.364 3 ↓

Parameters Provided:

ring.id = 246256
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 = 246256 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=246256&filter.purchasability=annotated

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