UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxy-3-pyridyl)methanone (5-amino-3,4-dihydro-1H-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) 0.84 3.76 -14.08 2 5 0 68 283.331 2 ↓

Analogs

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Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methyl-3-pyridyl)methanone (5-amino-3,4-dihydro-1H-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) 0.55 5.38 -11 2 4 0 59 267.332 1 ↓

Analogs

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Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(5-hydroxy-3-pyridyl)methanone (5-amino-3,4-dihydro-1H-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) 0.42 2.98 -33.99 3 5 0 84 269.304 1 ↓
Hi High (pH 8-9.5) 0.42 2.52 -46.49 2 5 -1 82 268.296 1 ↓
Mid Mid (pH 6-8) 0.42 1.76 -10.02 3 5 0 79 269.304 1 ↓

Analogs

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Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(5-bromo-3-pyridyl)methanone (5-amino-3,4-dihydro-1H-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) 1.45 5.24 -7.98 2 4 0 59 332.201 1 ↓

Analogs

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Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,6-dimethyl-3-pyridyl)methanone (5-amino-3,4-dihydro-1H-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) 0.93 5.94 -10.34 2 4 0 59 281.359 1 ↓

Analogs

3477210
3477210

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Popular Name: (5-bromo-3-pyridyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (5-bromo-3-pyridyl)-(7-hydroxy-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) 1.51 4.39 -8.77 1 4 0 53 333.185 1 ↓

Analogs

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Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-[6-(isopropylamino)-3-pyridyl]methanone 3,4-dihydro-1H-isoquinolin-2-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) 1.93 7.8 -8.46 1 4 0 45 295.386 3 ↓

Analogs

17321934
17321934
14049098
14049098

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Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-pentylsulfanyl-3-pyridyl)methanone 3,4-dihydro-1H-isoquinolin-2-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) 3.89 11.13 -11.67 0 3 0 33 340.492 6 ↓

Analogs

6946301
6946301

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Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,6-dimethoxy-3-pyridyl)methanone 3,4-dihydro-1H-isoquinolin-2-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) 1.80 4.52 -11.97 0 5 0 52 298.342 3 ↓

Parameters Provided:

ring.id = 35211
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 = 35211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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