UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-hydroxyethyl)-3-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]urea 1-(2-hydroxyethyl)-3-[5-(2-pyrid…

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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) 0.30 -1.07 -19.1 3 7 0 100 265.298 4 ↓

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) 1.66 3.75 -39.61 0 5 -1 65 252.3 3 ↓

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) 2.31 5.24 -15.53 2 8 0 106 349.416 6 ↓

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) 2.31 5.24 -15.53 2 8 0 106 349.416 6 ↓

Analogs

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Popular Name: (2S)-2-isopentyloxy-N-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]propanamide (2S)-2-isopentyloxy-N-[5-(2-pyri…

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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) 2.61 6.64 -19.89 1 6 0 77 320.418 7 ↓

Analogs

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Popular Name: (2R)-2-isopentyloxy-N-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]propanamide (2R)-2-isopentyloxy-N-[5-(2-pyri…

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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) 2.61 6.64 -19.89 1 6 0 77 320.418 7 ↓

Analogs

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Popular Name: N-methyl-3-[methyl-[[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]carbamoyl]amino]propanamide N-methyl-3-[methyl-[[5-(2-pyridy…

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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) 0.56 2.91 -23.6 2 8 0 100 320.378 5 ↓

Analogs

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Popular Name: (2S)-2-acetamido-3-methyl-N-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]butanamide (2S)-2-acetamido-3-methyl-N-[5-(…

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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) 0.86 3.49 -16.12 2 7 0 97 319.39 5 ↓
Hi High (pH 8-9.5) 1.05 2.02 -47.65 1 7 -1 103 318.382 5 ↓

Analogs

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Popular Name: (2R)-2-acetamido-3-methyl-N-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]butanamide (2R)-2-acetamido-3-methyl-N-[5-(…

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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) 0.86 3.53 -15.47 2 7 0 97 319.39 5 ↓
Hi High (pH 8-9.5) 1.05 2.02 -47.64 1 7 -1 103 318.382 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) 0.61 0.66 -17.89 2 8 0 106 293.308 5 ↓
Hi High (pH 8-9.5) 0.43 -0.46 -46.87 1 8 -1 112 292.3 5 ↓

Analogs

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Popular Name: 2-ethylsulfonyl-N-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]acetamide 2-ethylsulfonyl-N-[5-(2-pyridyl)…

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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 1.48 -34.68 1 7 0 102 312.376 5 ↓
Mid Mid (pH 6-8) 0.57 0.18 -62.76 0 7 -1 108 311.368 5 ↓

Analogs

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Popular Name: 2-[acetyl(methyl)amino]-N-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]acetamide 2-[acetyl(methyl)amino]-N-[5-(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) 0.36 3.61 -23.08 1 7 0 88 291.336 4 ↓
Hi High (pH 8-9.5) 0.18 2.32 -57.66 0 7 -1 94 290.328 4 ↓

Analogs

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Popular Name: 1-(2-bromoallyl)-3-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]urea 1-(2-bromoallyl)-3-[5-(2-pyridyl…

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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) 2.05 3.42 -16.28 2 6 0 80 340.206 4 ↓

Analogs

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Popular Name: (2S)-2-allyloxy-N-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]propanamide (2S)-2-allyloxy-N-[5-(2-pyridyl)…

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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) 1.60 5.12 -20.54 1 6 0 77 290.348 6 ↓
Hi High (pH 8-9.5) 1.78 3.37 -53.66 0 6 -1 83 289.34 6 ↓

Analogs

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Popular Name: (2R)-2-allyloxy-N-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]propanamide (2R)-2-allyloxy-N-[5-(2-pyridyl)…

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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) 1.60 5.12 -20.34 1 6 0 77 290.348 6 ↓
Hi High (pH 8-9.5) 1.78 3.37 -53.12 0 6 -1 83 289.34 6 ↓

Parameters Provided:

ring.id = 126295
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 = 126295 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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