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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)BLAH (4-fluorophenyl)BLAH

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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) 4.06 7.41 -3 0 1 0 3 229.298 1 ↓

Analogs

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Popular Name: 3-[(2R,6S)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]propan-1-amine 3-[(2R,6S)-4-azatricyclo[5.2.1.0…

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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) 1.27 5.09 -102.37 4 2 2 32 194.322 3 ↓
Hi High (pH 8-9.5) 1.27 4.72 -31.25 3 2 1 30 193.314 3 ↓
Mid Mid (pH 6-8) 1.27 2.56 -40.88 3 2 1 31 193.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,6S)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]propan-1-amine 3-[(2R,6S)-4-azatricyclo[5.2.1.0…

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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) 1.27 5.18 -107.62 4 2 2 32 194.322 3 ↓
Hi High (pH 8-9.5) 1.27 4.8 -34.41 3 2 1 30 193.314 3 ↓
Mid Mid (pH 6-8) 1.27 2.71 -41.75 3 2 1 31 193.314 3 ↓

Analogs

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Popular Name: 2-[(2R,6S)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]ethan-1-amine 2-[(2R,6S)-4-azatricyclo[5.2.1.0…

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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) 1.00 4.33 -111.98 4 2 2 32 180.295 2 ↓
Hi High (pH 8-9.5) 1.00 1.79 -40.82 3 2 1 31 179.287 2 ↓
Hi High (pH 8-9.5) 1.00 1.42 -1.45 2 2 0 29 178.279 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,6S)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]ethan-1-amine 2-[(2R,6S)-4-azatricyclo[5.2.1.0…

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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) 1.00 4.41 -118.53 4 2 2 32 180.295 2 ↓
Hi High (pH 8-9.5) 1.00 1.95 -42.28 3 2 1 31 179.287 2 ↓
Hi High (pH 8-9.5) 1.00 1.56 -1.46 2 2 0 29 178.279 2 ↓

Parameters Provided:

ring.id = 3601
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 = 3601 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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