UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-phenyl-propionamide N-[(1S)-1-[5-(m-anisylthio)-4-(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) 5.10 15.31 -13.68 1 9 0 115 517.611 11 ↓

Analogs

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Popular Name: N-[(1R)-1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-phenyl-propionamide N-[(1R)-1-[5-(m-anisylthio)-4-(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) 5.10 15.29 -13.17 1 9 0 115 517.611 11 ↓

Analogs

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Popular Name: N-[[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-propionamide N-[[5-(m-anisylthio)-4-(4-nitrop…

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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 14.57 -15.1 1 9 0 115 503.584 11 ↓

Analogs

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Popular Name: N-[[4-(5-chloro-2-methyl-phenyl)-5-(m-anisylthio)-1,2,4-triazol-3-yl]methyl]-3-phenyl-propionamide N-[[4-(5-chloro-2-methyl-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) 6.06 15.35 -12.83 1 6 0 69 507.059 10 ↓

Analogs

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Popular Name: N-[[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-propionamide N-[[5-[(2-methylbenzyl)thio]-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) 5.40 15.91 -12.27 1 5 0 60 456.615 9 ↓

Analogs

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Popular Name: N-[[5-(m-anisylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-phenyl-propionamide N-[[5-(m-anisylthio)-4-(p-tolyl)…

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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) 5.04 14.56 -13.2 1 6 0 69 472.614 10 ↓

Analogs

16568706
16568706
16568767
16568767
33580970
33580970
33862692
33862692
34689523
34689523

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Popular Name: N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-(2-methoxyphenyl)propanamide N-[[5-benzylsulfanyl-4-(4-methox…

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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) 4.62 0.37 -13.05 1 7 0 78 488.613 11 ↓

Parameters Provided:

ring.id = 808
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 = 808 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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