UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (5R)-5-tert-butyl-N-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroindoxazene-3- (5R)-5-tert-butyl-N-[(4-chloro-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) 3.90 3.17 -12.22 0 6 0 64 378.904 5 ↓

Analogs

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Popular Name: (5S)-5-tert-butyl-N-[(4-chloro-1-ethyl-pyrazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroindoxazene-3- (5S)-5-tert-butyl-N-[(4-chloro-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) 3.90 3.16 -12.13 0 6 0 64 378.904 5 ↓

Analogs

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Popular Name: (5R)-5-tert-butyl-N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-tert-butyl-N-[(1R)-1-(1-e…

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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) 3.61 1.73 -10.7 1 6 0 72 344.459 5 ↓

Analogs

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Popular Name: (5R)-5-tert-butyl-N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-tert-butyl-N-[(1S)-1-(1-e…

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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) 3.61 1.73 -10.65 1 6 0 72 344.459 5 ↓

Analogs

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Popular Name: (5S)-5-tert-butyl-N-[(1R)-1-(1-ethylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-tert-butyl-N-[(1R)-1-(1-e…

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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) 3.61 1.72 -10.68 1 6 0 72 344.459 5 ↓

Analogs

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Popular Name: (5S)-5-tert-butyl-N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-tert-butyl-N-[(1S)-1-(1-e…

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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) 3.61 1.72 -10.61 1 6 0 72 344.459 5 ↓

Analogs

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Popular Name: (5R)-5-tert-butyl-N-[(1-ethylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-tert-butyl-N-[(1-ethylpyr…

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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) 3.05 1.09 -10.85 1 6 0 72 330.432 5 ↓

Analogs

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Popular Name: (5S)-5-tert-butyl-N-[(1-ethylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-tert-butyl-N-[(1-ethylpyr…

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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) 3.05 1.09 -10.92 1 6 0 72 330.432 5 ↓

Analogs

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Popular Name: (5R)-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-[(1-ethylpyrazol-3-yl)met…

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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) 1.72 0.17 -10.92 1 6 0 72 288.351 4 ↓

Analogs

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Popular Name: (5S)-N-[(1-ethylpyrazol-3-yl)methyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-[(1-ethylpyrazol-3-yl)met…

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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) 1.72 0.17 -10.95 1 6 0 72 288.351 4 ↓

Analogs

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Popular Name: (5R)-N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-[(4-bromo-1-ethyl-pyrazol…

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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) 2.46 -0.6 -10.39 1 6 0 72 367.247 4 ↓

Analogs

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Popular Name: (5S)-N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-[(4-bromo-1-ethyl-pyrazol…

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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) 2.46 -0.6 -10.39 1 6 0 72 367.247 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 242997 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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