UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[5-[(Z)-[2,4,6-trioxo-1-(4-sec-butylphenyl)hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic 3-[5-[(Z)-[2,4,6-trioxo-1-(4-sec…

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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) 5.01 10.53 -123.64 0 8 -2 128 456.454 6 ↓

Analogs

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Popular Name: 3-[5-[(Z)-[2,4,6-trioxo-1-(4-sec-butylphenyl)hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic 3-[5-[(Z)-[2,4,6-trioxo-1-(4-sec…

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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) 5.01 10.52 -124.03 0 8 -2 128 456.454 6 ↓

Analogs

1243392
1243392

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Popular Name: (5Z)-1-(4-bromophenyl)-5-[(morpholinoamino)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-bromophenyl)-5-[(morph…

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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) 0.93 0.86 -45.47 1 8 -1 100 394.205 3 ↓
Lo Low (pH 4.5-6) 0.47 3.39 -9.22 2 8 0 96 395.213 3 ↓

Analogs

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Popular Name: 4-chloro-3-[5-[(Z)-[1-(2,3-dimethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl 4-chloro-3-[5-[(Z)-[1-(2,3-dimet…

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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) 4.80 10.08 -109.57 0 8 -2 128 462.845 4 ↓

Analogs

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Popular Name: (5E)-5-[[(4-methylpiperazin-1-yl)amino]methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[[(4-methylpiperazin-1-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) 0.78 3.6 -74.66 2 8 0 95 343.387 3 ↓
Ref Reference (pH 7) 0.78 3.68 -71.93 2 8 0 95 343.387 3 ↓
Mid Mid (pH 6-8) 0.78 1.88 -47.79 1 8 -1 94 342.379 3 ↓

Analogs

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Popular Name: (5Z)-5-[(1-benzylindol-3-yl)methylene]-6-hydroxy-3-phenethyl-pyrimidine-2,4-dione (5Z)-5-[(1-benzylindol-3-yl)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) 4.43 11.23 -51.07 0 6 -1 80 448.502 6 ↓

Analogs

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Popular Name: (5Z)-6-hydroxy-3-[4-[(1S)-1-methylpropyl]phenyl]-5-[[1-(o-tolylmethyl)indol-3-yl]methylene]pyrimidin (5Z)-6-hydroxy-3-[4-[(1S)-1-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) 6.16 12.7 -52.76 0 6 -1 80 490.583 6 ↓

Analogs

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Popular Name: (5Z)-5-[[5-(4-chlorophenyl)sulfanyl-2-furyl]methylene]-6-hydroxy-3-[4-[(1R)-1-methylpropyl]phenyl]py (5Z)-5-[[5-(4-chlorophenyl)sulfa…

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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) 6.14 11 -50.39 0 6 -1 88 479.965 6 ↓

Analogs

36498584
36498584

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Popular Name: (5Z)-3-(4-ethylphenyl)-6-hydroxy-5-[[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]methylene]pyrimidine-2,4 (5Z)-3-(4-ethylphenyl)-6-hydroxy…

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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) 5.31 11.71 -52.58 0 7 -1 89 492.555 7 ↓

Analogs

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Popular Name: (5Z)-5-[[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]methylene]-6-hydroxy-3-[4-[(1S)-1-methylpropyl]pheny (5Z)-5-[[2,5-dimethyl-1-(1-napht…

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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) 5.95 13.46 -54.96 0 6 -1 80 490.583 5 ↓

Analogs

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Popular Name: (6Z)-6-benzylidenethiazolo[3,2-a]pyrimidine-5,7-dione (6Z)-6-benzylidenethiazolo[3,2-a…

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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) 1.76 5.59 -13.59 0 4 0 51 256.286 1 ↓

Analogs

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Popular Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(1,3-benzodioxol-5-yl)-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) 2.36 3.17 -45.02 0 7 -1 93 353.285 2 ↓
Mid Mid (pH 6-8) 1.90 5.72 -11.85 1 7 0 90 354.293 2 ↓

Analogs

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Popular Name: (5E)-1-(3-bromophenyl)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]hexahydropyrimidine-2,4,6-tri (5E)-1-(3-bromophenyl)-5-[(2,5-d…

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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) 3.72 9.06 -52.67 0 6 -1 80 463.311 3 ↓
Ref Reference (pH 7) 3.72 9.17 -52.37 0 6 -1 80 463.311 3 ↓

Analogs

33765716
33765716

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Popular Name: (Z)-1-(4-bromophenyl)-5-((5-(2-methyl-4-nitrophenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (Z)-1-(4-bromophenyl)-5-((5-(2-m…

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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) 4.41 9.56 -47.51 0 9 -1 134 495.265 4 ↓
Ref Reference (pH 7) 4.41 9.42 -47.75 0 9 -1 134 495.265 4 ↓
Lo Low (pH 4.5-6) 3.96 12.12 -13.9 1 9 0 131 496.273 4 ↓

Analogs

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Popular Name: (5E)-1-(4-bromophenyl)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]hexahydropyrimidine-2,4,6-tri (5E)-1-(4-bromophenyl)-5-[(2,5-d…

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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) 3.53 9.17 -49.48 0 6 -1 80 463.311 3 ↓
Lo Low (pH 4.5-6) 3.07 11.63 -10.09 1 6 0 77 464.319 3 ↓

Analogs

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Popular Name: 3-[[2-methoxy-4-[(Z)-[2,4,6-trioxo-1-(p-tolyl)hexahydropyrimidin-5-ylidene]methyl]phenoxy]methyl]ben 3-[[2-methoxy-4-[(Z)-[2,4,6-trio…

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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) 3.67 8.9 -105.53 0 9 -2 134 484.464 7 ↓
Ref Reference (pH 7) 3.67 8.78 -104.81 0 9 -2 134 484.464 7 ↓
Lo Low (pH 4.5-6) 3.21 11.44 -61.78 1 9 -1 131 485.472 7 ↓

Analogs

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Popular Name: (5Z)-1-(4-bromophenyl)-5-[[5-(4-fluorophenyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-bromophenyl)-5-[[5-(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) 4.24 8.24 -48.41 0 6 -1 88 454.231 3 ↓
Ref Reference (pH 7) 4.24 8.07 -48.92 0 6 -1 88 454.231 3 ↓
Lo Low (pH 4.5-6) 3.78 10.77 -11.61 1 6 0 85 455.239 3 ↓

Analogs

8744458
8744458

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Popular Name: (5E)-5-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-phenyl-hexahydropyrimidine-2,4,6-tr (5E)-5-[[1-(4-bromophenyl)-2,5-d…

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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) 3.53 9.06 -52.91 0 6 -1 80 463.311 3 ↓
Ref Reference (pH 7) 3.53 9.17 -51.98 0 6 -1 80 463.311 3 ↓
Lo Low (pH 4.5-6) 3.07 11.63 -11 1 6 0 77 464.319 3 ↓

Analogs

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Popular Name: (5Z)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]methylene]-1-(4-bromophenyl)hexahydropyrimidine-2, (5Z)-5-[[5-(1H-benzimidazol-2-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) 4.39 7.59 -58.07 1 8 -1 117 508.333 4 ↓

Parameters Provided:

ring.id = 5956
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 = 5956 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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