UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

24827984
24827984
27128506
27128506

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Popular Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide 2-[(4-allyl-5-cyclopropyl-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) 1.63 8.9 -16.14 1 7 0 78 388.493 10 ↓

Analogs

39973533
39973533

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Popular Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methyl-aceta 2-[(5-cyclopropyl-4-ethyl-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) 3.24 12.36 -13.08 0 5 0 51 399.347 7 ↓

Analogs

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Popular Name: 3-[3-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]p 3-[3-[2-[[(1R)-1-(4-bromophenyl)…

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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) 1.71 7.34 -18.43 3 7 0 103 452.378 9 ↓

Analogs

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Popular Name: 3-[3-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]p 3-[3-[2-[[(1S)-1-(4-bromophenyl)…

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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) 1.71 7.34 -18.56 3 7 0 103 452.378 9 ↓

Analogs

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Popular Name: 3-[3-[2-(benzyl-methyl-amino)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide 3-[3-[2-(benzyl-methyl-amino)-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) 0.58 8.11 -18.12 2 7 0 94 373.482 9 ↓

Analogs

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Popular Name: 3-[3-[2-(benzyl-tert-butyl-amino)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide 3-[3-[2-(benzyl-tert-butyl-amino…

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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) 1.77 9.39 -17.32 2 7 0 94 415.563 10 ↓

Analogs

23365142
23365142

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Popular Name: 3-[3-cyclopropyl-5-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl] 3-[3-cyclopropyl-5-[2-[[(1R)-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) 1.06 6.8 -19.1 3 7 0 103 391.472 9 ↓

Analogs

23365139
23365139

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Popular Name: 3-[3-cyclopropyl-5-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl] 3-[3-cyclopropyl-5-[2-[[(1S)-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) 1.06 6.79 -19.23 3 7 0 103 391.472 9 ↓

Analogs

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Popular Name: 3-[3-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]p 3-[3-[2-[(2-bromophenyl)methyl-m…

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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) 1.34 8.36 -16.28 2 7 0 94 452.378 9 ↓

Analogs

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Popular Name: 3-[3-cyclopropyl-5-[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl] 3-[3-cyclopropyl-5-[2-[(3-fluoro…

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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) 0.72 8.17 -17.45 2 7 0 94 391.472 9 ↓

Analogs

23365702
23365702

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Popular Name: (2R)-2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-fluorophenyl)meth (2R)-2-[[4-(3-amino-3-oxo-propyl…

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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) 1.09 8.68 -17.7 2 7 0 94 405.499 9 ↓

Analogs

23365699
23365699

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Popular Name: (2S)-2-[[4-(3-amino-3-oxo-propyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-fluorophenyl)meth (2S)-2-[[4-(3-amino-3-oxo-propyl…

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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) 1.09 8.66 -17.23 2 7 0 94 405.499 9 ↓

Analogs

23365759
23365759

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Popular Name: 3-[3-cyclopropyl-5-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol- 3-[3-cyclopropyl-5-[2-[[(1R)-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) 0.94 5.44 -20.67 3 9 0 121 433.534 11 ↓

Analogs

23365756
23365756

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Popular Name: 3-[3-cyclopropyl-5-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol- 3-[3-cyclopropyl-5-[2-[[(1S)-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) 0.94 5.45 -20.62 3 9 0 121 433.534 11 ↓

Analogs

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Popular Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-ac 2-[(4-allyl-5-cyclopropyl-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) 2.33 12.32 -14.62 0 6 0 54 385.537 9 ↓
Lo Low (pH 4.5-6) 2.33 13.07 -28.06 1 6 0 55 386.545 9 ↓

Analogs

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Popular Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-ethylphenyl)methyl]-N-methyl-acetamide 2-[(4-allyl-5-cyclopropyl-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) 3.14 13.34 -13.51 0 5 0 51 370.522 9 ↓

Analogs

7235527
7235527

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Popular Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide 2-[(5-cyclopropyl-4-methyl-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) 2.10 11.42 -15.68 0 5 0 51 348.447 7 ↓

Analogs

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Popular Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide 2-[(4-allyl-5-cyclopropyl-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) 3.22 11.11 -12.77 1 5 0 60 376.913 8 ↓

Analogs

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Popular Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide 2-[(4-allyl-5-cyclopropyl-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) 3.22 11.11 -12.76 1 5 0 60 376.913 8 ↓

Parameters Provided:

ring.id = 58387
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 = 58387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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