UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5778307
5778307

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Popular Name: 3-nitro-4-(3-thienyl)-8-(3-thienylmethylene)-4,5,6,7-tetrahydrochromen-2-amine 3-nitro-4-(3-thienyl)-8-(3-thien…

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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) 4.24 -1.16 -9.92 2 5 0 81 372.471 3 ↓

Analogs

5778302
5778302

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Popular Name: 3-nitro-4-(3-thienyl)-8-(3-thienylmethylene)-4,5,6,7-tetrahydrochromen-2-amine 3-nitro-4-(3-thienyl)-8-(3-thien…

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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) 4.24 -1.43 -7.73 2 5 0 81 372.471 3 ↓

Analogs

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Popular Name: 2-amino-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-amino-8-(3,4,5-trimethoxybenzy…

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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) 4.81 2.7 -18.37 2 9 0 114 520.582 8 ↓

Analogs

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Popular Name: 2-amino-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-amino-8-(3,4,5-trimethoxybenzy…

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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) 4.81 2.7 -18.42 2 9 0 114 520.582 8 ↓

Analogs

2783212
2783212

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Popular Name: 2-amino-8-(2,3-dichlorobenzylidene)-4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-amino-8-(2,3-dichlorobenzylide…

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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) 7.41 0.7 -9.77 2 3 0 59 478.206 2 ↓

Analogs

2783210
2783210

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Popular Name: 2-amino-8-(2,3-dichlorobenzylidene)-4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-amino-8-(2,3-dichlorobenzylide…

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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) 7.41 0.92 -8.54 2 3 0 59 478.206 2 ↓

Analogs

2785261
2785261

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Popular Name: 2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-8-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-amino-4-(1,3,5-trimethyl-1H-py…

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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 1.34 -14.93 2 7 0 94 404.518 2 ↓

Analogs

2785259
2785259

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Popular Name: 2-amino-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-8-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-amino-4-(1,3,5-trimethyl-1H-py…

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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 1.49 -14.68 2 7 0 94 404.518 2 ↓

Analogs

2785329
2785329

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Popular Name: 2-amino-4-(1,3-dimethylpyrazol-4-yl)-8-[(1,3-dimethylpyrazol-4-yl)methylene]-4,5,6,7-tetrahydrochrom 2-amino-4-(1,3-dimethylpyrazol-4…

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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) 2.09 1.52 -15.17 2 7 0 94 376.464 2 ↓

Analogs

2785327
2785327

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Popular Name: 2-amino-4-(1,3-dimethylpyrazol-4-yl)-8-[(1,3-dimethylpyrazol-4-yl)methylene]-4,5,6,7-tetrahydrochrom 2-amino-4-(1,3-dimethylpyrazol-4…

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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) 2.09 1.51 -15.03 2 7 0 94 376.464 2 ↓

Parameters Provided:

ring.id = 2233
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 = 2233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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