UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,5S,6S,8R)-6,8-bis(3-chlorophenyl)-7-azabicyclo[3.3.1]nonan-9-ylidene]amino]pyridine-4-carbox N-[[(1R,5S,6S,8R)-6,8-bis(3-chlo…

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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) 5.52 11.16 -12.41 2 5 0 66 479.411 4 ↓
Lo Low (pH 4.5-6) 5.52 11.96 -84.27 3 5 0 71 480.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,5S,6R,8S)-6,8-bis(3-chlorophenyl)-7-azabicyclo[3.3.1]nonan-9-ylidene]amino]pyridine-4-carbox N-[[(1R,5S,6R,8S)-6,8-bis(3-chlo…

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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) 5.52 11.04 -15.58 2 5 0 66 479.411 4 ↓
Lo Low (pH 4.5-6) 5.52 11.44 -67.8 3 5 1 71 480.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,5S,6S,8R)-6,8-bis(4-fluorophenyl)-7-azabicyclo[3.3.1]nonan-9-ylidene]amino]pyridine-4-carbox N-[[(1R,5S,6S,8R)-6,8-bis(4-fluo…

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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) 4.54 10.26 -14.73 2 5 0 66 446.501 4 ↓
Lo Low (pH 4.5-6) 4.54 11.05 -49.65 3 5 0 71 447.509 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,5S,6R,8S)-6,8-bis(4-fluorophenyl)-7-azabicyclo[3.3.1]nonan-9-ylidene]amino]pyridine-4-carbox N-[[(1R,5S,6R,8S)-6,8-bis(4-fluo…

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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) 4.54 10.14 -19.88 2 5 0 66 446.501 4 ↓
Lo Low (pH 4.5-6) 4.54 10.54 -75.04 3 5 1 71 447.509 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,5S,6S,8R)-6,8-bis(3-methoxyphenyl)-7-azabicyclo[3.3.1]nonan-9-ylidene]amino]pyridine-4-carbo N-[[(1R,5S,6S,8R)-6,8-bis(3-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) 4.28 8.72 -16.07 2 7 0 85 470.573 6 ↓
Lo Low (pH 4.5-6) 4.28 9.51 -52.18 3 7 1 89 471.581 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,5S,6R,8S)-6,8-bis(3-methoxyphenyl)-7-azabicyclo[3.3.1]nonan-9-ylidene]amino]pyridine-4-carbo N-[[(1R,5S,6R,8S)-6,8-bis(3-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) 4.28 8.6 -15.86 2 7 0 85 470.573 6 ↓
Lo Low (pH 4.5-6) 4.28 9 -97.15 3 7 0 89 471.581 6 ↓

Parameters Provided:

ring.id = 369626
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 = 369626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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