UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-[(4-methylcyclohexyl)amino]ethyl]-1,2,3-benzotriazin-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) 2.37 6.41 -41.7 2 5 1 64 287.387 4 ↓

Analogs

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Popular Name: 3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]-1,2,3-benzotriazin-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) 2.84 6.28 -40.29 2 5 1 64 287.387 4 ↓

Analogs

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Popular Name: 3-[2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]-1,2,3-benzotriazin-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) 2.84 6.48 -39.85 2 5 1 64 287.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R,2R)-2-methylcyclohexyl]amino]ethyl]-1,2,3-benzotriazin-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) 2.84 6.48 -39.85 2 5 1 64 287.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]-1,2,3-benzotriazin-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) 2.84 6.28 -40.61 2 5 1 64 287.387 4 ↓

Analogs

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Popular Name: 3-[2-[[(1S,3R)-3-methylcyclohexyl]amino]ethyl]-1,2,3-benzotriazin-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) 2.61 6.41 -41.41 2 5 1 64 287.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]-1,2,3-benzotriazin-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) 2.61 6.17 -41.25 2 5 1 64 287.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R,3R)-3-methylcyclohexyl]amino]ethyl]-1,2,3-benzotriazin-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) 2.61 6.17 -41.37 2 5 1 64 287.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R,3S)-3-methylcyclohexyl]amino]ethyl]-1,2,3-benzotriazin-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) 2.61 6.4 -41.63 2 5 1 64 287.387 4 ↓

Analogs

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Popular Name: 3-[2-(cyclohexylamino)ethyl]-1,2,3-benzotriazin-4-one 3-[2-(cyclohexylamino)ethyl]-1,2…

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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) 2.60 5.81 -40.84 2 5 1 64 273.36 4 ↓

Parameters Provided:

ring.id = 74590
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 = 74590 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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