UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16689590
16689590

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Popular Name: N-isopropyl-2-(4-methoxyphenyl)-6-methyl-chromen-4-imine N-isopropyl-2-(4-methoxyphenyl)-…

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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) 5.60 9.26 -25.99 1 3 1 36 308.401 3 ↓

Analogs

12084610
12084610

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Popular Name: 6-methoxy-2-(4-methoxyphenyl)-N-(3-pyridylmethyl)chromen-4-imine 6-methoxy-2-(4-methoxyphenyl)-N-…

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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) 4.70 -0.49 -11.49 0 5 0 57 372.424 5 ↓

Analogs

12129798
12129798

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Popular Name: N-(2-furylmethyl)-6-methoxy-2-(4-methoxyphenyl)chromen-4-imine N-(2-furylmethyl)-6-methoxy-2-(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) 5.19 0.82 -11.51 0 5 0 57 361.397 5 ↓

Analogs

11991050
11991050
12129816
12129816
12129821
12129821

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Popular Name: 6-methoxy-2-(4-methoxyphenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]chromen-4-imine 6-methoxy-2-(4-methoxyphenyl)-N-…

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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) 4.91 -1.28 -12.59 0 5 0 53 365.429 5 ↓

Analogs

12129816
12129816
12129821
12129821
11991049
11991049

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Popular Name: 6-methoxy-2-(4-methoxyphenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]chromen-4-imine 6-methoxy-2-(4-methoxyphenyl)-N-…

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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) 4.91 -1.2 -12.76 0 5 0 53 365.429 5 ↓

Analogs

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Popular Name: 2-[[6-methoxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]ethanol 2-[[6-methoxy-2-(4-methoxyphenyl…

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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) 3.91 -2.71 -12.67 1 5 0 64 325.364 5 ↓

Analogs

12129827
12129827

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Popular Name: 3-[[6-methoxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]propan-1-ol 3-[[6-methoxy-2-(4-methoxyphenyl…

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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) 4.18 -2.65 -11.99 1 5 0 64 339.391 6 ↓

Analogs

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Popular Name: 6-methoxy-2-(4-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)chromen-4-imine 6-methoxy-2-(4-methoxyphenyl)-N-…

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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) 6.73 10.57 -39.05 1 8 1 104 460.491 5 ↓

Analogs

35469743
35469743

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Popular Name: 5-hydroxy-7-methyl-3-(2-methylthiazol-4-yl)-6-nitroso-chromen-4-one 5-hydroxy-7-methyl-3-(2-methylth…

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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) 2.12 3.1 -28.67 4 7 1 116 317.35 2 ↓
Mid Mid (pH 6-8) 2.12 3.12 -100.86 5 7 2 117 318.358 2 ↓

Analogs

1944732
1944732

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Popular Name: ethyl ethyl

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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) 7.40 2.65 -9.78 0 5 0 61 433.891 6 ↓

Analogs

16689590
16689590

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Popular Name: 3-[(E)-[2-(4-methoxyphenyl)-5,7-dimethyl-chromen-4-ylidene]amino]propan-1-ol 3-[(E)-[2-(4-methoxyphenyl)-5,7-…

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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) 4.94 -1.02 -9.52 1 4 0 54 337.419 5 ↓

Analogs

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Popular Name: 6-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)-chromen-4-imine 6-chloro-N-(2-methoxyethyl)-2-(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) 5.14 -0.64 -9.27 0 4 0 43 343.81 5 ↓

Analogs

16693252
16693252

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Popular Name: (E)-(4-fluorophenyl)-[2-(4-methoxyphenyl)-5,7-dimethyl-chromen-4-ylidene]amine (E)-(4-fluorophenyl)-[2-(4-metho…

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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) 7.17 3.58 -6.93 0 3 0 34 373.427 3 ↓

Analogs

16666744
16666744
16693321
16693321

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-2-phenyl-chromen-4-imine N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) 6.79 1.31 -10.94 0 4 0 43 413.517 7 ↓

Analogs

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Popular Name: N-cyclopentyl-6-ethyl-2-phenyl-chromen-4-imine N-cyclopentyl-6-ethyl-2-phenyl-c…

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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) 6.74 0.62 -6.74 0 2 0 25 317.432 3 ↓

Analogs

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Popular Name: 6-bromo-N-phenethyl-2-phenyl-chromen-4-imine 6-bromo-N-phenethyl-2-phenyl-chr…

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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) 7.04 -0.28 -6.61 0 2 0 25 404.307 4 ↓

Analogs

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Popular Name: [(E)-(6-methyl-2-p-cumenyl-chromen-4-ylidene)amino]-phenyl-amine [(E)-(6-methyl-2-p-cumenyl-chrom…

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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) 7.84 2.44 -8.16 1 3 0 37 368.48 4 ↓

Analogs

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Popular Name: (E)-(2,4-dimethylphenyl)-(6-methylchromen-4-ylidene)ammonium (E)-(2,4-dimethylphenyl)-(6-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) 5.48 10.25 -24.25 1 2 1 27 264.348 1 ↓

Analogs

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Popular Name: 6-chloro-7-methyl-2-(4-tert-butylphenyl)-chromen-4-one 6-chloro-7-methyl-2-(4-tert-buty…

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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) 6.87 9.52 -27.66 2 3 1 47 342.846 2 ↓

Analogs

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Popular Name: [(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-chromen-4-ylidene]amino]-phenyl-amine [(E)-[2-(2,3-dihydro-1,4-benzodi…

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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) 5.84 0.76 -10.73 1 5 0 55 384.435 3 ↓

Analogs

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Popular Name: (2S)-2-[[2-(3,4-dimethoxyphenyl)-6-ethyl-chromen-4-ylidene]amino]-3-methyl-butanoic (2S)-2-[[2-(3,4-dimethoxyphenyl)…

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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) 3.88 11.89 -33.62 1 6 0 86 409.482 7 ↓

Parameters Provided:

ring.id = 3836
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 = 3836 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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