UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-amino-6-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-3,4-dihydro-1H-quinolin-2-one 7-amino-6-[[(1S,2R,4R)-2,4-dimet…

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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) 3.69 5.69 -6.6 4 4 0 67 287.407 2 ↓
Lo Low (pH 4.5-6) 3.69 5.55 -50.47 5 4 1 69 288.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-6-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-3,4-dihydro-1H-quinolin-2-one 7-amino-6-[[(1S,2R,4S)-2,4-dimet…

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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) 3.69 5.04 -6.69 4 4 0 67 287.407 2 ↓
Lo Low (pH 4.5-6) 3.69 4.92 -49.91 5 4 1 69 288.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-6-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-3,4-dihydro-1H-quinolin-2-one 7-amino-6-[[(1R,2R,4R)-2,4-dimet…

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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) 3.69 5.38 -6.61 4 4 0 67 287.407 2 ↓
Lo Low (pH 4.5-6) 3.69 5.26 -50.15 5 4 1 69 288.415 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-6-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-3,4-dihydro-1H-quinolin-2-one 7-amino-6-[[(1R,2R,4S)-2,4-dimet…

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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) 3.69 5.15 -6.62 4 4 0 67 287.407 2 ↓
Lo Low (pH 4.5-6) 3.69 5.01 -50.4 5 4 1 69 288.415 2 ↓

Analogs

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Popular Name: 7-amino-6-[methyl-(4-methylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one 7-amino-6-[methyl-(4-methylcyclo…

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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) 2.79 5.95 -5.87 3 4 0 58 287.407 2 ↓

Analogs

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Popular Name: 6-[[(1S,2R)-2-methoxycyclohexyl]amino]-3,4-dihydro-1H-quinolin-2-one 6-[[(1S,2R)-2-methoxycyclohexyl]…

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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) 3.50 5.21 -7.32 2 4 0 50 274.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S,2S)-2-methoxycyclohexyl]amino]-3,4-dihydro-1H-quinolin-2-one 6-[[(1S,2S)-2-methoxycyclohexyl]…

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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) 3.50 4.9 -7.56 2 4 0 50 274.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R,2R)-2-methoxycyclohexyl]amino]-3,4-dihydro-1H-quinolin-2-one 6-[[(1R,2R)-2-methoxycyclohexyl]…

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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) 3.50 4.91 -7.57 2 4 0 50 274.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R,2S)-2-methoxycyclohexyl]amino]-3,4-dihydro-1H-quinolin-2-one 6-[[(1R,2S)-2-methoxycyclohexyl]…

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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) 3.50 5.2 -7.28 2 4 0 50 274.364 3 ↓

Parameters Provided:

ring.id = 524155
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 = 524155 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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