UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxaz (2Z)-2-[[(4-fluorophenyl)methyla…

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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) 0.65 0.72 -11.2 2 7 0 97 333.319 3 ↓
Mid Mid (pH 6-8) 0.65 1.52 -49.94 1 7 -1 100 332.311 3 ↓
Lo Low (pH 4.5-6) 0.65 1.9 -35.11 3 7 1 99 334.327 3 ↓

Analogs

35017734
35017734

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Popular Name: N-[(2Z,10S)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10S)-2-[[(4-fluorophenyl)…

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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) -0.18 1.75 -13.62 2 9 0 117 404.398 4 ↓
Mid Mid (pH 6-8) -0.18 2.41 -51.87 1 9 -1 120 403.39 4 ↓
Lo Low (pH 4.5-6) -0.18 3.45 -47.98 3 9 1 119 405.406 4 ↓

Analogs

35017732
35017732

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Popular Name: N-[(2Z,10R)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10R)-2-[[(4-fluorophenyl)…

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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) -0.18 1.7 -18.74 2 9 0 117 404.398 4 ↓
Mid Mid (pH 6-8) -0.18 1.97 -64.78 1 9 -1 120 403.39 4 ↓
Lo Low (pH 4.5-6) -0.18 3.4 -41.11 3 9 1 119 405.406 4 ↓

Analogs

35017737
35017737

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Popular Name: (2Z,10S)-10-[dimethylsulfamoyl(methyl)amino]-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-6,7 (2Z,10S)-10-[dimethylsulfamoyl(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) -0.17 -0.38 -13.68 2 11 0 138 469.495 6 ↓
Mid Mid (pH 6-8) -0.17 0.29 -47.93 1 11 -1 140 468.487 6 ↓
Lo Low (pH 4.5-6) -0.17 1.35 -49.86 3 11 1 139 470.503 6 ↓

Analogs

35017736
35017736

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Popular Name: (2Z,10R)-10-[dimethylsulfamoyl(methyl)amino]-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-6,7 (2Z,10R)-10-[dimethylsulfamoyl(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) -0.17 -0.49 -19.26 2 11 0 138 469.495 6 ↓
Mid Mid (pH 6-8) -0.17 0.15 -64.98 1 11 -1 140 468.487 6 ↓
Lo Low (pH 4.5-6) -0.17 1.24 -47.62 3 11 1 139 470.503 6 ↓

Analogs

35017741
35017741

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Popular Name: N-[(2Z,10S)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10S)-2-[[(4-fluorophenyl)…

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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) -1.47 -1.42 -15.02 2 12 0 156 472.433 5 ↓
Mid Mid (pH 6-8) -1.47 -0.79 -52.03 1 12 -1 159 471.425 5 ↓
Lo Low (pH 4.5-6) -1.47 0.29 -44.13 3 12 1 158 473.441 5 ↓

Analogs

35017739
35017739

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Popular Name: N-[(2Z,10R)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10R)-2-[[(4-fluorophenyl)…

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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) -1.47 -1.81 -19.14 2 12 0 156 472.433 5 ↓
Mid Mid (pH 6-8) -1.47 -1.17 -63.23 1 12 -1 159 471.425 5 ↓
Lo Low (pH 4.5-6) -1.47 -0.09 -45.02 3 12 1 158 473.441 5 ↓

Analogs

35017746
35017746

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Popular Name: N-[(2Z,10S)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10S)-2-[[(4-fluorophenyl)…

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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) -0.98 1.22 -48.17 1 12 -1 144 515.522 5 ↓
Mid Mid (pH 6-8) -0.98 0.59 -14.08 2 12 0 141 516.53 5 ↓
Lo Low (pH 4.5-6) -0.98 4.66 -117.32 4 12 2 144 518.546 5 ↓

Analogs

35017744
35017744

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Popular Name: N-[(2Z,10R)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10R)-2-[[(4-fluorophenyl)…

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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) -0.98 0.71 -65.89 1 12 -1 144 515.522 5 ↓
Mid Mid (pH 6-8) -0.98 0.09 -20.16 2 12 0 141 516.53 5 ↓
Lo Low (pH 4.5-6) -0.98 4.15 -101.24 4 12 2 144 518.546 5 ↓

Analogs

35017751
35017751

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Popular Name: N-[(2Z,10S)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10S)-2-[[(4-fluorophenyl)…

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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) -0.28 -0.88 -13.13 2 12 0 141 524.575 6 ↓
Mid Mid (pH 6-8) -0.28 2.09 -60.2 2 12 0 145 524.575 6 ↓
Mid Mid (pH 6-8) -0.28 1.47 -51.88 3 12 1 142 525.583 6 ↓

Analogs

35017749
35017749

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Popular Name: N-[(2Z,10R)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-3,4-dioxo-6,7,9,10-tetrahydropyrimid N-[(2Z,10R)-2-[[(4-fluorophenyl)…

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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) -0.28 -0.94 -19.13 2 12 0 141 524.575 6 ↓
Mid Mid (pH 6-8) -0.28 -0.32 -65.02 1 12 -1 144 523.567 6 ↓
Mid Mid (pH 6-8) -0.28 2.02 -89.69 2 12 0 145 524.575 6 ↓

Parameters Provided:

ring.id = 15100
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 = 15100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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