UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5-methoxy-1H-indazol-3-yl)-BLAHyl-methanone (5-methoxy-1H-indazol-3-yl)-BLAH…

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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) 3.48 7.1 -12.95 1 5 0 58 325.412 2 ↓

Analogs

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Popular Name: (2-amino-1,3-benzothiazol-5-yl)-BLAHyl-methanone (2-amino-1,3-benzothiazol-5-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) 3.07 7.22 -13.76 2 4 0 59 327.453 1 ↓

Analogs

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Popular Name: 1-(2-oxo-2-BLAHyl-ethyl)quinolin-4-one 1-(2-oxo-2-BLAHyl-ethyl)quinolin…

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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) 2.12 10.51 -21.85 0 4 0 42 336.435 2 ↓

Analogs

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Popular Name: 2-[4-(BLAHylmethyl)phenyl]ethanamine 2-[4-(BLAHylmethyl)phenyl]ethana…

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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) 2.87 9.32 -89.6 4 2 2 32 286.463 4 ↓

Analogs

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Popular Name: (1R,2R,6S,7S)-4-azatricyclo[5.2.2.0~2,6~]undecane (1R,2R,6S,7S)-4-azatricyclo[5.2.…

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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) 2.25 4.58 -37.82 2 1 1 17 152.261 0 ↓

Parameters Provided:

ring.id = 25934
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 = 25934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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