UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(3-methylpyrazol-1-yl)isoquinolin-8-amine 5-(3-methylpyrazol-1-yl)isoquino…

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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) 1.59 4.94 -11.22 2 4 0 57 224.267 1 ↓
Mid Mid (pH 6-8) 1.59 5.41 -37.11 3 4 1 58 225.275 1 ↓
Lo Low (pH 4.5-6) 1.59 5.05 -80.74 4 4 2 59 226.283 1 ↓

Analogs

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Popular Name: 5-(3-isopropylpyrazol-1-yl)isoquinolin-8-amine 5-(3-isopropylpyrazol-1-yl)isoqu…

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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) 2.65 6.21 -10.98 2 4 0 57 252.321 2 ↓
Mid Mid (pH 6-8) 2.65 6.68 -36.66 3 4 1 58 253.329 2 ↓

Analogs

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Popular Name: 1-(8-amino-5-isoquinolyl)-N-methyl-pyrazole-3-carboxamide 1-(8-amino-5-isoquinolyl)-N-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) 0.80 2.59 -13.9 3 6 0 86 267.292 2 ↓
Mid Mid (pH 6-8) 0.80 3.06 -45.04 4 6 1 87 268.3 2 ↓

Analogs

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Popular Name: 1-(8-amino-5-isoquinolyl)-N,N-dimethyl-pyrazole-3-carboxamide 1-(8-amino-5-isoquinolyl)-N,N-di…

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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) 1.05 4.78 -14.02 2 6 0 77 281.319 2 ↓
Mid Mid (pH 6-8) 1.05 5.25 -46.19 3 6 1 78 282.327 2 ↓

Parameters Provided:

ring.id = 28552
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 = 28552 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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