UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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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) 3.11 6.26 -41.86 3 5 1 72 256.285 3 ↓

Analogs

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Popular Name: 5-(5-isopropyl-2H-pyrazol-3-yl)-2-(methoxymethyl)-3-(4-methoxyphenyl)pyrazolo[5,1-b]pyrimidin-7-ol 5-(5-isopropyl-2H-pyrazol-3-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) 4.37 5.19 -30.36 3 8 1 99 394.455 5 ↓
Mid Mid (pH 6-8) 3.88 5.39 -58.01 1 8 -1 100 392.439 6 ↓

Analogs

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Popular Name: 5-(5-isopropyl-2H-pyrazol-3-yl)-2-(methoxymethyl)-3-phenyl-pyrazolo[5,1-b]pyrimidin-7-ol 5-(5-isopropyl-2H-pyrazol-3-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) 4.31 5.9 -29.1 3 7 1 90 364.429 4 ↓
Mid Mid (pH 6-8) 3.82 6.02 -59.33 1 7 -1 91 362.413 5 ↓

Analogs

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Popular Name: 7-hydroxy-5-(5-isopropyl-2H-pyrazol-3-yl)-N-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide 7-hydroxy-5-(5-isopropyl-2H-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) 3.22 4.63 -32.57 4 8 1 109 363.401 3 ↓
Mid Mid (pH 6-8) 2.72 4.75 -59.87 2 8 -1 111 361.385 4 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-5-(5-isopropyl-2H-pyrazol-3-yl)pyrazolo[5,1-b]pyrimidin-7-ol 2-(3,4-dimethoxyphenyl)-5-(5-iso…

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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 5.33 -36.97 3 8 1 99 380.428 4 ↓
Mid Mid (pH 6-8) 3.23 5.54 -59.05 1 8 -1 100 378.412 5 ↓

Analogs

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Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-5-oxo-4-[(pyrimidin-2-ylamino)methylene]-1H-pyrazol-3-yl]quinolin-2-one 4-hydroxy-1-methyl-3-[(4Z)-5-oxo…

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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 4.72 -55.54 2 9 -1 132 361.341 2 ↓
Mid Mid (pH 6-8) 0.73 3.33 -151.65 1 9 -2 132 360.333 3 ↓
Mid Mid (pH 6-8) 0.37 2.15 -52.32 2 9 -1 132 361.341 3 ↓

Analogs

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Popular Name: N,1,4,4-tetramethyl-8-[4-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[4,3-h]quinazoline-3-carboxamid N,1,4,4-tetramethyl-8-[4-(4-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) 3.36 11.11 -83.29 5 9 2 97 462.602 4 ↓
Mid Mid (pH 6-8) 3.36 8.76 -37.63 4 9 1 95 461.594 4 ↓

Analogs

77948
77948

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Popular Name: 1-(4-bromo-1H-pyrazol-3-yl)-N-methoxy-methanimine 1-(4-bromo-1H-pyrazol-3-yl)-N-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) 0.91 1.5 -13.36 1 4 0 47 204.027 2 ↓
Mid Mid (pH 6-8) 1.09 1.8 -4.64 1 4 0 50 204.027 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.00 3.66 -23.07 0 4 0 52 176.175 2 ↓

Parameters Provided:

ring.id = 15171
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 = 15171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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