UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[1-[(2-methylthiazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide N-[1-[(2-methylthiazol-5-yl)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) 2.02 4.84 -47.48 0 5 -1 64 336.462 4 ↓
Mid Mid (pH 6-8) 2.02 4.77 -13.69 1 5 0 62 337.47 4 ↓

Analogs

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Popular Name: (2S,4R)-2-methyl-1-[(2-methylthiazol-5-yl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide (2S,4R)-2-methyl-1-[(2-methylthi…

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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) 1.44 4.84 -11.51 2 4 0 59 301.415 3 ↓

Analogs

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Popular Name: (2S,4S)-2-methyl-1-[(2-methylthiazol-5-yl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide (2S,4S)-2-methyl-1-[(2-methylthi…

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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) 1.44 5.24 -13.45 2 4 0 59 301.415 3 ↓

Analogs

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Popular Name: 1-[(2-methylthiazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-6-amine 1-[(2-methylthiazol-5-yl)methyl]…

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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) 1.88 5.82 -6.92 2 3 0 42 259.378 2 ↓
Lo Low (pH 4.5-6) 1.88 5.7 -45.49 3 3 1 44 260.386 2 ↓
Lo Low (pH 4.5-6) 1.88 6.2 -31.29 3 3 1 43 260.386 2 ↓

Analogs

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Popular Name: (3R)-1-[(2-methylthiazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[(2-methylthiazol-5-yl)me…

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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) 1.18 5.3 -50.47 3 3 1 44 260.386 2 ↓
Hi High (pH 8-9.5) 1.18 4.98 -6.36 2 3 0 42 259.378 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2-methylthiazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[(2-methylthiazol-5-yl)me…

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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) 1.18 5.19 -53.39 3 3 1 44 260.386 2 ↓
Hi High (pH 8-9.5) 1.18 4.87 -6.68 2 3 0 42 259.378 2 ↓

Parameters Provided:

ring.id = 185907
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 = 185907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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