UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-benzyl-5-(5-benzyl-4H-pyrazol-3-yl)-4H-pyrazole 3-benzyl-5-(5-benzyl-4H-pyrazol-…

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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 10.38 -13.74 0 4 0 49 314.392 5 ↓

Analogs

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Popular Name: [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [1-ethyl-5-(trifluoromethyl)pyra…

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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) 2.05 5.61 -17.35 1 11 0 117 470.419 4 ↓

Analogs

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Popular Name: [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [1-ethyl-5-(trifluoromethyl)pyra…

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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) 2.05 5.56 -17.56 1 11 0 117 470.419 4 ↓

Analogs

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Popular Name: [4-(difluoromethoxy)-3-methoxy-phenyl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-(difluoromethoxy)-3-methoxy-p…

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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) 2.42 5.77 -20.22 1 11 0 117 480.435 5 ↓

Analogs

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Popular Name: [4-(difluoromethoxy)-3-methoxy-phenyl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-(difluoromethoxy)-3-methoxy-p…

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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) 2.42 5.84 -20.35 1 11 0 117 480.435 5 ↓

Analogs

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Popular Name: (3,4-diethoxyphenyl)methyl-methyl-(1-methylpyrazol-4-yl)BLAH (3,4-diethoxyphenyl)methyl-methy…

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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 7.96 -22.08 1 11 0 117 486.536 7 ↓

Analogs

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Popular Name: (3,4-diethoxyphenyl)methyl-methyl-(1-methylpyrazol-4-yl)BLAH (3,4-diethoxyphenyl)methyl-methy…

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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 7.91 -21.52 1 11 0 117 486.536 7 ↓

Analogs

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Popular Name: [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-chloro-2-methyl-5-(trifluorom…

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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) 2.28 5.58 -16.21 1 11 0 117 490.837 3 ↓

Analogs

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Popular Name: [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-chloro-2-methyl-5-(trifluorom…

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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) 2.28 5.64 -16.42 1 11 0 117 490.837 3 ↓

Analogs

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Popular Name: [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-chloro-1-methyl-5-(trifluorom…

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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) 2.28 5.22 -18.01 1 11 0 117 490.837 3 ↓

Analogs

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Popular Name: [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-chloro-1-methyl-5-(trifluorom…

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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) 2.28 5.28 -18.23 1 11 0 117 490.837 3 ↓

Analogs

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Popular Name: [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-[(3,5-dimethylpyrazol-1-yl)me…

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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) 2.70 9.05 -21.55 1 11 0 117 492.547 4 ↓

Analogs

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Popular Name: [4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-methyl-(1-methylpyrazol-4-yl)BLAH [4-[(3,5-dimethylpyrazol-1-yl)me…

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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) 2.70 9 -21.72 1 11 0 117 492.547 4 ↓

Analogs

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Popular Name: (3aS,4R)-3-(2-furyl)-4-(p-tolyl)-4,5-dihydro-3aH-pyrrolo[3,4-c]pyrazol-6-one (3aS,4R)-3-(2-furyl)-4-(p-tolyl)…

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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) 2.24 4.15 -15.53 1 5 0 67 279.299 2 ↓
Hi High (pH 8-9.5) 2.43 1.58 -53.58 0 5 -1 73 278.291 2 ↓

Analogs

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Popular Name: (4S)-4-[(4R)-3-cyclohexyl-4H-pyrazol-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one (4S)-4-[(4R)-3-cyclohexyl-4H-pyr…

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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) 2.78 3.98 -19.87 2 6 0 83 341.411 3 ↓

Analogs

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Popular Name: (4S,7aS)-1-butyl-4-[(4R)-3-cyclohexyl-4H-pyrazol-4-yl]-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin (4S,7aS)-1-butyl-4-[(4R)-3-cyclo…

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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) 3.40 5.13 -19.31 2 6 0 69 343.475 5 ↓

Analogs

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Popular Name: (3aR,6aR)-2-methyl-N-[[(4S)-3-(2-thienyl)-4H-pyrazol-4-yl]methyl]-1,3,3a,4,5,6-hexahydropyrrolo[3,4- (3aR,6aR)-2-methyl-N-[[(4S)-3-(2…

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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) 1.23 1.33 -63.61 3 6 1 74 332.453 4 ↓
Hi High (pH 8-9.5) 1.23 -0.11 -16.63 2 6 0 69 331.445 4 ↓
Lo Low (pH 4.5-6) 1.23 2.59 -53.63 3 6 1 70 332.453 4 ↓

Analogs

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Popular Name: 2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol 2-chloro-6-[5-(4-chlorophenyl)-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) 4.52 6.96 -14.35 1 3 0 45 305.164 2 ↓
Hi High (pH 8-9.5) 4.52 7.74 -52.79 0 3 -1 48 304.156 2 ↓

Analogs

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Popular Name: [3-(dimethylamino)-2-[5-[2-(dimethylamino)-1-(dimethyliminiomethyl)vinyl]-4H-pyrazol-3-yl]prop-2-eny [3-(dimethylamino)-2-[5-[2-(dime…

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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) -5.53 9.33 -77.9 0 6 2 37 318.469 6 ↓
Mid Mid (pH 6-8) -5.53 9.56 -75.46 1 6 0 38 319.477 6 ↓
Lo Low (pH 4.5-6) -5.53 9.72 -24.94 2 6 0 40 320.485 6 ↓

Analogs

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Popular Name: (3aR,4S)-6-amino-4-[3-[[(3R)-3,5-dimethyl-4-nitro-1,3-dihydropyrazol-2-yl]methyl]-4-methoxy-phenyl]- (3aR,4S)-6-amino-4-[3-[[(3R)-3,5…

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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) 3.89 5.56 -17.96 3 11 0 154 499.531 6 ↓

Analogs

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Popular Name: 5-TERT-BUTYL 3-ETHYL 6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-3,5(4H)-DICARBOXYLATE 5-TERT-BUTYL 3-ETHYL 6,7-DIHYDRO…

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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) 1.83 5.8 -10.63 0 7 0 81 295.339 5 ↓

Analogs

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Popular Name: 5-TERT-BUTYL 3-ETHYL 6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-3,5(4H)-DICARBOXYLATE 5-TERT-BUTYL 3-ETHYL 6,7-DIHYDRO…

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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) 1.83 5.78 -10.64 0 7 0 81 295.339 5 ↓

Analogs

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Popular Name: 3-(Dimethoxymethyl)-1h-pyrazole 3-(Dimethoxymethyl)-1h-pyrazole

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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) 0.16 0.71 -12.72 0 4 0 43 142.158 3 ↓

Parameters Provided:

ring.id = 1876
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 = 1876 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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