UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-[(4-methylcyclohexyl)amino]ethyl]quinazolin-4-one 3-[2-[(4-methylcyclohexyl)amino]…

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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) 2.52 9 -51.59 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]quinazolin-4-one 3-[2-[[(1S,2R)-2-methylcyclohexy…

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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) 2.98 9.09 -49.55 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 3-[2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]quinazolin-4-one 3-[2-[[(1S,2S)-2-methylcyclohexy…

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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) 2.98 9.29 -49.45 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 3-[2-[[(1R,2R)-2-methylcyclohexyl]amino]ethyl]quinazolin-4-one 3-[2-[[(1R,2R)-2-methylcyclohexy…

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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) 2.98 9.29 -49.47 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 3-[2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]quinazolin-4-one 3-[2-[[(1R,2S)-2-methylcyclohexy…

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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) 2.98 9.09 -50.54 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 3-[2-[[(1S,3R)-3-methylcyclohexyl]amino]ethyl]quinazolin-4-one 3-[2-[[(1S,3R)-3-methylcyclohexy…

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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) 2.75 9.22 -50.79 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 3-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]quinazolin-4-one 3-[2-[[(1S,3S)-3-methylcyclohexy…

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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) 2.75 8.98 -50.71 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 3-[2-[[(1R,3R)-3-methylcyclohexyl]amino]ethyl]quinazolin-4-one 3-[2-[[(1R,3R)-3-methylcyclohexy…

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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) 2.75 8.98 -51.11 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 3-[2-[[(1R,3S)-3-methylcyclohexyl]amino]ethyl]quinazolin-4-one 3-[2-[[(1R,3S)-3-methylcyclohexy…

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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) 2.75 9.21 -51.38 2 4 1 52 286.399 4 ↓

Analogs

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Popular Name: 3-[2-(cyclohexylamino)ethyl]quinazolin-4-one 3-[2-(cyclohexylamino)ethyl]quin…

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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) 2.74 8.62 -50.24 2 4 1 52 272.372 4 ↓

Analogs

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Popular Name: 6-bromo-3-[2-(cyclohexylamino)ethyl]quinazolin-4-one 6-bromo-3-[2-(cyclohexylamino)et…

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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) 3.53 9.22 -52.45 2 4 1 52 351.268 4 ↓

Parameters Provided:

ring.id = 73345
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 = 73345 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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