UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 1.80 7.04 -10.77 1 6 0 88 289.316 6 ↓

Analogs

39289418
39289418
39289535
39289535

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Popular Name: 4-(5-Methyl-furan-2-yl)-thiazol-2-ylamine 4-(5-Methyl-furan-2-yl)-thiazol-…

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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) 1.51 3.45 -7.71 2 3 0 52 180.232 1 ↓
Lo Low (pH 4.5-6) 1.51 3.7 -29.33 3 3 1 53 181.24 1 ↓

Analogs

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Popular Name: (2R)-2-acetamido-N-[4-[5-(acetamidomethyl)-2-furyl]thiazol-2-yl]propanamide (2R)-2-acetamido-N-[4-[5-(acetam…

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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) -0.38 2.01 -18.4 3 8 0 113 350.4 6 ↓

Analogs

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Popular Name: (2S)-2-acetamido-N-[4-[5-(acetamidomethyl)-2-furyl]thiazol-2-yl]propanamide (2S)-2-acetamido-N-[4-[5-(acetam…

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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) -0.38 2.01 -18.45 3 8 0 113 350.4 6 ↓

Analogs

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Popular Name: N-[[5-[2-(hexylamino)thiazol-4-yl]-2-furyl]methyl]acetamide N-[[5-[2-(hexylamino)thiazol-4-y…

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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) 3.27 6.68 -10.08 2 5 0 67 321.446 9 ↓
Lo Low (pH 4.5-6) 3.27 7 -33.59 3 5 1 68 322.454 9 ↓

Analogs

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Popular Name: N-[[5-(2-isobutylthiazol-4-yl)-2-furyl]methyl]acetamide N-[[5-(2-isobutylthiazol-4-yl)-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) 1.88 5.38 -12.63 1 4 0 55 278.377 5 ↓

Analogs

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Popular Name: N-[4-(2-furyl)thiazol-2-yl]-2-isopentylsulfanyl-acetamide N-[4-(2-furyl)thiazol-2-yl]-2-is…

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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) 3.16 7.78 -11.8 1 4 0 55 310.444 7 ↓

Analogs

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Popular Name: 1-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]-3-propyl-urea 1-[[5-(2-methylthiazol-4-yl)-2-f…

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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 3.52 -10.64 2 5 0 67 279.365 5 ↓

Analogs

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Popular Name: 1-isobutyl-3-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]urea 1-isobutyl-3-[[5-(2-methylthiazo…

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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) 1.97 4.3 -10.41 2 5 0 67 293.392 5 ↓

Analogs

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Popular Name: 1-(2-bromoallyl)-3-[4-(2-furyl)thiazol-2-yl]urea 1-(2-bromoallyl)-3-[4-(2-furyl)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) 2.42 4.23 -9.81 2 5 0 67 328.191 4 ↓

Analogs

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Popular Name: (2S)-2-allyloxy-N-[4-(2-furyl)thiazol-2-yl]propanamide (2S)-2-allyloxy-N-[4-(2-furyl)th…

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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) 1.98 5.9 -12.66 1 5 0 64 278.333 6 ↓

Analogs

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Popular Name: (2R)-2-allyloxy-N-[4-(2-furyl)thiazol-2-yl]propanamide (2R)-2-allyloxy-N-[4-(2-furyl)th…

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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) 1.98 5.9 -12.53 1 5 0 64 278.333 6 ↓

Analogs

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Popular Name: 3-[4-(2-furyl)thiazol-2-yl]-1-(3-methoxypropyl)-1-methyl-urea 3-[4-(2-furyl)thiazol-2-yl]-1-(3…

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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) 1.81 5.27 -12.5 1 6 0 68 295.364 6 ↓

Analogs

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Popular Name: 1-[2-[ethyl(methyl)amino]ethyl]-3-[4-(2-furyl)thiazol-2-yl]urea 1-[2-[ethyl(methyl)amino]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) 1.72 5.02 -46.8 3 6 1 72 295.388 6 ↓

Analogs

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Popular Name: (2S)-2-but-3-enoxy-N-[4-(2-furyl)thiazol-2-yl]propanamide (2S)-2-but-3-enoxy-N-[4-(2-furyl…

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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) 2.25 6.68 -12.15 1 5 0 64 292.36 7 ↓

Analogs

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Popular Name: (2R)-2-but-3-enoxy-N-[4-(2-furyl)thiazol-2-yl]propanamide (2R)-2-but-3-enoxy-N-[4-(2-furyl…

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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) 2.25 6.69 -12.03 1 5 0 64 292.36 7 ↓

Analogs

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Popular Name: 2-[4-(2-furyl)thiazol-2-yl]-N-methyl-ethanamine 2-[4-(2-furyl)thiazol-2-yl]-N-me…

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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) 1.38 4 -45.79 2 3 1 43 209.294 4 ↓

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) 0.78 4.14 -13.66 1 6 0 81 294.332 6 ↓

Analogs

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Popular Name: N-[4-(2-furyl)thiazol-2-yl]-2-[isopropyl(methyl)amino]acetamide N-[4-(2-furyl)thiazol-2-yl]-2-[i…

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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) 2.06 6.3 -43.88 2 5 1 60 280.373 5 ↓
Mid Mid (pH 6-8) 1.87 5.47 -34.5 1 5 0 66 279.365 5 ↓

Analogs

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Popular Name: (2S)-N-[4-(2-furyl)thiazol-2-yl]-2-methoxy-butanamide (2S)-N-[4-(2-furyl)thiazol-2-yl]…

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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) 1.84 5.15 -11.79 1 5 0 64 266.322 5 ↓

Analogs

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Popular Name: (2R)-N-[4-(2-furyl)thiazol-2-yl]-2-methoxy-butanamide (2R)-N-[4-(2-furyl)thiazol-2-yl]…

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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) 1.84 5.08 -11.81 1 5 0 64 266.322 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.33 0.51 -78.32 3 8 0 128 331.375 7 ↓
Mid Mid (pH 6-8) 1.25 0.71 -65.64 4 8 1 129 332.383 6 ↓

Parameters Provided:

ring.id = 20745
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 = 20745 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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