UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1H-indol-2-ylmethyl)-1-(5-methoxy-1,3-dimethyl-pyrazol-4-yl)methanamine N-(1H-indol-2-ylmethyl)-1-(5-met…

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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) 2.14 5.29 -48.2 3 5 1 59 285.371 5 ↓

Analogs

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Popular Name: 1-(1-allyl-3-methyl-pyrazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-methanamine 1-(1-allyl-3-methyl-pyrazol-4-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) 2.01 9.83 -51.2 2 4 1 38 313.4 6 ↓

Analogs

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Popular Name: 4-[(1H-indol-2-ylmethylamino)methyl]-2-isobutyl-N,N,5-trimethyl-pyrazol-3-amine 4-[(1H-indol-2-ylmethylamino)met…

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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) 3.30 9.62 -47.5 3 5 1 53 340.495 7 ↓
Lo Low (pH 4.5-6) 3.30 10.4 -106.35 4 5 2 55 341.503 7 ↓

Analogs

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Popular Name: 4-[(1H-indol-2-ylmethylamino)methyl]-5-isopropyl-N,N,2-trimethyl-pyrazol-3-amine 4-[(1H-indol-2-ylmethylamino)met…

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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) 3.24 9.27 -48.52 3 5 1 53 326.468 6 ↓
Lo Low (pH 4.5-6) 3.24 9.4 -104.4 4 5 2 55 327.476 6 ↓

Parameters Provided:

ring.id = 185036
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 = 185036 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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