UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[4-(2-furylmethyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-(2-furylmethyl)-5-isopropy…

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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) 1.62 7.52 -50.58 0 6 -1 84 280.329 6 ↓

Analogs

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Popular Name: 3-[5-(2-butylamino-2-oxo-ethyl)sulfanyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]propanamide 3-[5-(2-butylamino-2-oxo-ethyl)s…

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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 4.7 -20.34 3 8 0 116 365.459 11 ↓

Analogs

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Popular Name: 3-[5-[2-(diallylamino)-2-oxo-ethyl]sulfanyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]propanamide 3-[5-[2-(diallylamino)-2-oxo-eth…

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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) 1.16 7.5 -18.95 2 8 0 107 389.481 12 ↓

Analogs

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Popular Name: 3-[5-[2-(ethyl-(2-methylprop-2-enyl)amino)-2-oxo-ethyl]sulfanyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl 3-[5-[2-(ethyl-(2-methylprop-2-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) 1.44 7.55 -18.75 2 8 0 107 391.497 11 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.56 6.84 -17.06 2 8 0 113 366.443 10 ↓

Analogs

23369807
23369807
45772472
45772472
45772473
45772473

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Popular Name: (2R)-2-[[5-(3-amino-3-oxo-propyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl) (2R)-2-[[5-(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) -0.36 3.3 -31.8 4 10 0 145 380.43 8 ↓

Analogs

45772472
45772472
45772473
45772473
23369805
23369805

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Popular Name: (2S)-2-[[5-(3-amino-3-oxo-propyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl) (2S)-2-[[5-(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) -0.36 3.3 -31.27 4 10 0 145 380.43 8 ↓

Analogs

23369833
23369833

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Popular Name: (2R)-2-[[5-(3-amino-3-oxo-propyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propana (2R)-2-[[5-(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) -0.74 1.88 -31.84 5 10 0 159 366.403 8 ↓

Analogs

23369830
23369830

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Popular Name: (2S)-2-[[5-(3-amino-3-oxo-propyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propana (2S)-2-[[5-(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) -0.74 1.88 -31.29 5 10 0 159 366.403 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.12 6.51 -15.47 2 8 0 113 352.416 10 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.12 6.51 -15.5 2 8 0 113 352.416 10 ↓

Analogs

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Popular Name: 3-[5-butylsulfanyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]propanamide 3-[5-butylsulfanyl-4-(2-furylmet…

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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) 1.95 6.39 -14.48 2 6 0 87 308.407 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.70 10.15 -14.49 0 6 0 70 295.364 9 ↓

Analogs

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Popular Name: 3-(2-tert-butoxyethylsulfanyl)-4-(2-furylmethyl)-1,2,4-triazole 3-(2-tert-butoxyethylsulfanyl)-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) 2.40 8.82 -12.64 0 5 0 53 281.381 7 ↓

Parameters Provided:

ring.id = 72909
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 = 72909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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