UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2,5-dimethylpyrazol-3-yl)-1H-indole-3-carboxamide N-(2,5-dimethylpyrazol-3-yl)-1H-…

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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) 1.77 5.76 -18.7 2 5 0 63 254.293 2 ↓

Analogs

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Popular Name: 5-amino-N-(2,5-dimethylpyrazol-3-yl)-1H-indole-3-carboxamide 5-amino-N-(2,5-dimethylpyrazol-3…

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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) 0.82 3.63 -19.77 4 6 0 89 269.308 2 ↓

Analogs

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Popular Name: 5-amino-N-(2-isopropylpyrazol-3-yl)-1H-indole-3-carboxamide 5-amino-N-(2-isopropylpyrazol-3-…

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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 4.63 -18.8 4 6 0 89 283.335 3 ↓

Analogs

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Popular Name: 5-amino-N-(2-methylpyrazol-3-yl)-1H-indole-3-carboxamide 5-amino-N-(2-methylpyrazol-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) 0.60 3.03 -19.26 4 6 0 89 255.281 2 ↓

Analogs

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Popular Name: N-(2,5-dimethylpyrazol-3-yl)-2-methyl-1H-indole-3-carboxamide N-(2,5-dimethylpyrazol-3-yl)-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) 2.00 6.27 -13.37 2 5 0 63 268.32 2 ↓

Analogs

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Popular Name: N-[2-(1-ethylpropyl)-5-methyl-pyrazol-3-yl]-1H-indole-3-carboxamide N-[2-(1-ethylpropyl)-5-methyl-py…

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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) 3.52 9.11 -18.29 2 5 0 63 310.401 5 ↓

Parameters Provided:

ring.id = 82314
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 = 82314 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=82314&filter.purchasability=annotated

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