UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,5R,6R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[5-chloro-2-(1,2,4-…

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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) 3.59 11.03 -5.94 1 4 0 43 286.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[5-chloro-2-(1,2,4-…

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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) 3.59 10.6 -5.86 1 4 0 43 286.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6R)-N-[5-chloro-2-(1,2,4-…

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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) 3.59 10.82 -6.22 1 4 0 43 286.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6S)-N-[5-chloro-2-(1,2,4-…

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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) 3.59 10.71 -5.71 1 4 0 43 286.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6R)-N-[2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[2-(1,2,4-triazol-1…

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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) 2.93 10.52 -6.79 1 4 0 43 252.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[2-(1,2,4-triazol-1…

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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) 2.93 10.1 -6.88 1 4 0 43 252.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6R)-N-[2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6R)-N-[2-(1,2,4-triazol-1…

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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) 2.93 10.3 -7.25 1 4 0 43 252.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6S)-N-[2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6S)-N-[2-(1,2,4-triazol-1…

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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) 2.93 10.2 -6.75 1 4 0 43 252.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6R)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[3-chloro-2-(1,2,4-…

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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) 3.77 10.59 -6.58 1 4 0 43 286.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,6S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6S)-N-[3-chloro-2-(1,2,4-…

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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) 3.77 10.16 -6.71 1 4 0 43 286.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6R)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6R)-N-[3-chloro-2-(1,2,4-…

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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) 3.77 10.4 -6.99 1 4 0 43 286.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R,6S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]bicyclo[3.2.0]hept-3-en-6-amine (1S,5R,6S)-N-[3-chloro-2-(1,2,4-…

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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) 3.77 10.27 -6.39 1 4 0 43 286.766 3 ↓

Parameters Provided:

ring.id = 554531
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 = 554531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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