UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-butoxy-N-[4-(1H-indol-3-yl)thiazol-2-yl]propanamide (2S)-2-butoxy-N-[4-(1H-indol-3-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) 3.78 8.81 -15.11 2 5 0 67 343.452 7 ↓

Analogs

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Popular Name: (2R)-2-butoxy-N-[4-(1H-indol-3-yl)thiazol-2-yl]propanamide (2R)-2-butoxy-N-[4-(1H-indol-3-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) 3.78 8.75 -15.14 2 5 0 67 343.452 7 ↓

Analogs

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Popular Name: ethyl-[4-(6-methoxy-1H-indol-3-yl)thiazol-2-yl]amine ethyl-[4-(6-methoxy-1H-indol-3-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) 3.08 -2.09 -10.7 2 4 0 49 273.361 4 ↓

Analogs

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Popular Name: 2-(tert-butylamino)-N-[4-(1H-indol-3-yl)thiazol-2-yl]acetamide 2-(tert-butylamino)-N-[4-(1H-ind…

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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) 3.33 6.77 -46.38 4 5 1 74 329.449 5 ↓

Analogs

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Popular Name: N-[4-(1H-indol-3-yl)thiazol-2-yl]-2-methoxy-acetamide N-[4-(1H-indol-3-yl)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) 1.98 5.53 -15.96 2 5 0 67 287.344 4 ↓

Analogs

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Popular Name: 5-methyl-4-(6-nitro-1H-indol-3-yl)thiazol-2-amine 5-methyl-4-(6-nitro-1H-indol-3-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) 2.46 5.52 -14.45 3 6 0 101 274.305 2 ↓
Lo Low (pH 4.5-6) 2.46 5.99 -42.48 4 6 1 102 275.313 2 ↓

Analogs

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Popular Name: 4-(6-nitro-1H-indol-3-yl)thiazol-2-amine 4-(6-nitro-1H-indol-3-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) 2.23 4.91 -14.56 3 6 0 101 260.278 2 ↓
Lo Low (pH 4.5-6) 2.23 5.12 -44.59 4 6 1 102 261.286 2 ↓

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) 2.85 7.46 -10.64 1 4 0 55 286.356 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) 2.63 7 -16.47 1 4 0 55 272.329 4 ↓

Analogs

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Popular Name: 5-methyl-4-(5-nitro-1H-indol-3-yl)thiazol-2-amine 5-methyl-4-(5-nitro-1H-indol-3-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) 2.46 5.53 -17.9 3 6 0 101 274.305 2 ↓
Lo Low (pH 4.5-6) 2.46 5.99 -40.27 4 6 1 102 275.313 2 ↓

Parameters Provided:

ring.id = 30674
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 = 30674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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