UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(1R,5R,6R)-6-bicyclo[3.2.0]he…

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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 5.94 -5.93 1 3 0 30 217.316 2 ↓
Mid Mid (pH 6-8) 2.79 6.07 -26.19 2 3 1 31 218.324 2 ↓

Analogs

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Popular Name: N-[(1R,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(1R,5R,6S)-6-bicyclo[3.2.0]he…

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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 5.61 -6.23 1 3 0 30 217.316 2 ↓
Mid Mid (pH 6-8) 2.79 5.74 -26.28 2 3 1 31 218.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(1S,5R,6R)-6-bicyclo[3.2.0]he…

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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 5.81 -6.2 1 3 0 30 217.316 2 ↓
Mid Mid (pH 6-8) 2.79 5.93 -25.92 2 3 1 31 218.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]-1,3,5-trimethyl-pyrazol-4-amine N-[(1S,5R,6S)-6-bicyclo[3.2.0]he…

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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 5.71 -6.26 1 3 0 30 217.316 2 ↓
Mid Mid (pH 6-8) 2.79 5.83 -25.78 2 3 1 31 218.324 2 ↓

Analogs

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Popular Name: 2-[4-[[(1R,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]amino]pyrazol-1-yl]acetamide 2-[4-[[(1R,5R,6R)-6-bicyclo[3.2.…

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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) 1.08 2.41 -15.12 3 5 0 73 232.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1R,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]amino]pyrazol-1-yl]acetamide 2-[4-[[(1R,5R,6S)-6-bicyclo[3.2.…

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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) 1.08 1.93 -14.26 3 5 0 73 232.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1S,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]amino]pyrazol-1-yl]acetamide 2-[4-[[(1S,5R,6R)-6-bicyclo[3.2.…

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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) 1.08 2.14 -14.21 3 5 0 73 232.287 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(1S,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]amino]pyrazol-1-yl]acetamide 2-[4-[[(1S,5R,6S)-6-bicyclo[3.2.…

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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) 1.08 2.01 -14.47 3 5 0 73 232.287 4 ↓

Analogs

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Popular Name: N-[(1R,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1R,5R,6R)-6-bicyclo[3.2.0]he…

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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) 2.34 5.22 -5.2 1 4 0 39 233.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1R,5R,6S)-6-bicyclo[3.2.0]he…

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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) 2.34 4.73 -4.9 1 4 0 39 233.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1S,5R,6R)-6-bicyclo[3.2.0]he…

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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) 2.34 4.95 -4.84 1 4 0 39 233.315 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(1S,5R,6S)-6-bicyclo[3.2.0]he…

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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) 2.34 4.82 -4.99 1 4 0 39 233.315 5 ↓

Parameters Provided:

ring.id = 550344
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 = 550344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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