UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-methyl-2-(o-tolyl)ethyl]-2-[[5-(p-tolyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[(1S)-1-methyl-2-(o-tolyl)ethy…

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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) 4.51 10.73 -12.09 2 5 0 71 380.517 7 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-(o-tolyl)ethyl]-2-[[5-(p-tolyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[(1R)-1-methyl-2-(o-tolyl)ethy…

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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) 4.51 10.68 -12.13 2 5 0 71 380.517 7 ↓

Analogs

3396737
3396737

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Popular Name: 2-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]thio]-N-phenethyl-acetamide 2-[[3-(4-bromophenyl)-1H-1,2,4-t…

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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) 4.14 9.19 -19.4 2 5 0 71 417.332 7 ↓
Mid Mid (pH 6-8) 4.14 9.04 -44.91 1 5 -1 69 416.324 7 ↓

Analogs

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Popular Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetami 2-[[5-(5-chloro-2-methoxy-phenyl…

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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) 4.16 8.82 -14.98 2 6 0 80 420.897 8 ↓

Analogs

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Popular Name: (2R)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propan (2R)-2-[[5-(5-chloro-2-methoxy-p…

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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) 5.16 10.16 -12.35 2 6 0 80 430.961 8 ↓

Analogs

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Popular Name: (2R)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-phenylpropyl]propan (2R)-2-[[5-(5-chloro-2-methoxy-p…

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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) 5.16 10.16 -12.34 2 6 0 80 430.961 8 ↓

Analogs

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Popular Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propan (2S)-2-[[5-(5-chloro-2-methoxy-p…

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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) 5.16 10.16 -12.41 2 6 0 80 430.961 8 ↓

Analogs

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Popular Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-phenylpropyl]propan (2S)-2-[[5-(5-chloro-2-methoxy-p…

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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) 5.16 10.15 -12.46 2 6 0 80 430.961 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide 2-[[5-(5-chloro-2-methoxy-phenyl…

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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) 4.00 8.76 -13.56 2 6 0 80 402.907 8 ↓

Analogs

6141812
6141812
6141814
6141814

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Popular Name: (2R)-2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide (2R)-2-[[5-(4-methoxyphenyl)-4H-…

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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) 4.55 9.37 -11.55 2 6 0 80 396.516 8 ↓

Analogs

6141812
6141812
6141814
6141814

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Popular Name: (2R)-2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-phenylpropyl]propanamide (2R)-2-[[5-(4-methoxyphenyl)-4H-…

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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) 4.55 9.36 -11.51 2 6 0 80 396.516 8 ↓

Analogs

6141812
6141812
6141814
6141814

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide (2S)-2-[[5-(4-methoxyphenyl)-4H-…

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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) 4.55 9.38 -11.57 2 6 0 80 396.516 8 ↓

Analogs

6141812
6141812
6141814
6141814

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-phenylpropyl]propanamide (2S)-2-[[5-(4-methoxyphenyl)-4H-…

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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) 4.55 9.37 -11.56 2 6 0 80 396.516 8 ↓

Parameters Provided:

ring.id = 44143
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 = 44143 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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