UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3851827
3851827
2535141
2535141

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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) 1.34 7.15 -14.24 0 8 0 88 292.295 8 ↓

Analogs

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Popular Name: 1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxylic-acid-methyl-ester 1-[(4-nitropyrazol-1-yl)methyl]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) 0.41 2.89 -19.33 0 9 0 107 251.202 5 ↓

Analogs

27973335
27973335
2526619
2526619

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Popular Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide 1-[(4-bromo-3,5-dimethyl-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) 0.69 -2.2 -15.38 2 6 0 78 298.144 3 ↓

Analogs

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Popular Name: 1-[(4-amino-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxylic-acid-methyl-ester 1-[(4-amino-3,5-dimethyl-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) 0.37 3.77 -13.27 2 7 0 88 249.274 4 ↓

Analogs

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Popular Name: 1-allyl-3-[1-[[4-(allylthiocarbamoylamino)pyrazol-1-yl]methyl]pyrazol-4-yl]thiourea 1-allyl-3-[1-[[4-(allylthiocarba…

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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) 0.42 -4.93 -27.21 4 8 0 83 376.515 12 ↓

Parameters Provided:

ring.id = 14346
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 = 14346 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14346&filter.purchasability=annotated

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