UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 2-(2-thienyl)-N-BLAHyl-acetamide 2-(2-thienyl)-N-BLAHyl-acetamide

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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) 5.06 10.46 -19.35 1 3 0 42 348.452 3 ↓

Analogs

9504474
9504474

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Popular Name: 2-(2,4,6-trimethylphenyl)-N-BLAHyl-acetamide 2-(2,4,6-trimethylphenyl)-N-BLAH…

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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) 6.36 13.09 -18.63 1 3 0 42 384.504 3 ↓

Analogs

10697502
10697502
10701308
10701308

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Popular Name: 2-(4-isopropylphenyl)-N-BLAHyl-acetamide 2-(4-isopropylphenyl)-N-BLAHyl-a…

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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) 6.67 13.28 -18.58 1 3 0 42 384.504 4 ↓

Analogs

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Popular Name: (2R)-1-methylsulfonyl-N-BLAHyl-piperidine-2-carboxamide (2R)-1-methylsulfonyl-N-BLAHyl-p…

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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) 3.66 8.04 -20.43 1 6 0 79 413.524 3 ↓

Analogs

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Popular Name: (2S)-1-methylsulfonyl-N-BLAHyl-piperidine-2-carboxamide (2S)-1-methylsulfonyl-N-BLAHyl-p…

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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) 3.66 8.41 -23.22 1 6 0 79 413.524 3 ↓

Analogs

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Popular Name: N-acenaphthyleno[1,2-d]thiazol-8-yl-2,4-difluoro-benzamide N-acenaphthyleno[1,2-d]thiazol-8…

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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) 5.32 11.14 -22.65 1 3 0 42 364.376 2 ↓

Analogs

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Popular Name: N-acenaphthyleno[2,1-d]thiazol-8-yl-2,5-dimethyl-furan-3-carboxamide N-acenaphthyleno[2,1-d]thiazol-8…

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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) 4.46 10.59 -18.47 1 4 0 55 346.411 2 ↓

Analogs

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Popular Name: N-acenaphthyleno[2,1-d]thiazol-8-yl-1H-indole-3-carboxamide N-acenaphthyleno[2,1-d]thiazol-8…

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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) 5.22 10.99 -27.3 2 4 0 58 367.433 2 ↓

Analogs

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Popular Name: N-acenaphthyleno[2,1-d]thiazol-8-yl-5-phenyl-isoxazole-3-carboxamide N-acenaphthyleno[2,1-d]thiazol-8…

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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) 5.71 11.6 -16.3 1 5 0 68 395.443 3 ↓

Analogs

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Popular Name: N-acenaphthyleno[2,1-d]thiazol-8-yl-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide N-acenaphthyleno[2,1-d]thiazol-8…

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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) 3.11 11.8 -31.3 1 9 0 104 444.476 3 ↓

Analogs

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Popular Name: N-acenaphthyleno[2,1-d]thiazol-8-yl-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide N-acenaphthyleno[2,1-d]thiazol-8…

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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) 4.89 11.84 -21.72 1 5 0 59 382.448 2 ↓
Hi High (pH 8-9.5) 4.96 9.97 -66.25 0 5 -1 66 381.44 2 ↓
Lo Low (pH 4.5-6) 4.89 12.28 -41.51 2 5 1 61 383.456 2 ↓

Analogs

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Popular Name: N-acenaphthyleno[2,1-d]thiazol-8-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide N-acenaphthyleno[2,1-d]thiazol-8…

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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) 4.29 11.55 -30.05 1 6 0 77 399.431 3 ↓

Analogs

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Popular Name: N-acenaphthyleno[2,1-d]thiazol-8-ylquinoxaline-2-carboxamide N-acenaphthyleno[2,1-d]thiazol-8…

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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 9.48 -18.77 1 5 0 68 380.432 2 ↓
Hi High (pH 8-9.5) 5.17 7.75 -65.31 0 5 -1 74 379.424 2 ↓

Analogs

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Popular Name: N-acenaphthyleno[1,2-d]thiazol-8-ylpyrazine-2-carboxamide N-acenaphthyleno[1,2-d]thiazol-8…

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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) 3.60 7.42 -19.16 1 5 0 68 330.372 2 ↓
Hi High (pH 8-9.5) 3.67 5.68 -62.89 0 5 -1 74 329.364 2 ↓

Analogs

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Popular Name: N-acenaphthyleno[1,2-d]thiazol-8-ylcyclobutanecarboxamide N-acenaphthyleno[1,2-d]thiazol-8…

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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) 4.40 9.97 -19.36 1 3 0 42 306.39 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 100200 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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