UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-acetamido-N-benzo[e][1,3]benzothiazol-2-yl-4-fluoro-benzamide 3-acetamido-N-benzo[e][1,3]benzo…

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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) 3.86 8.62 -18.97 2 5 0 71 379.416 3 ↓

Analogs

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Popular Name: 9-isopropyl-N-BLAHyl-7-oxa-5,8-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene-3-carboxamide 9-isopropyl-N-BLAHyl-7-oxa-5,8-d…

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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) 4.70 -1.66 -13.5 1 6 0 81 388.452 3 ↓

Analogs

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Popular Name: 2-(9-methyl-5-oxo-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-N-BLAHyl-acetamide 2-(9-methyl-5-oxo-2,4,8,9-tetraz…

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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) 2.12 -1.01 -26.43 1 8 0 95 390.428 3 ↓

Analogs

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Popular Name: 4-(methyl-(2-thienylsulfonyl)amino)-N-BLAHyl-butanamide 4-(methyl-(2-thienylsulfonyl)ami…

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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) 4.26 -5.87 -20.27 1 6 0 79 445.591 7 ↓

Analogs

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Popular Name: 1-[4-(trifluoromethyl)benzoyl]-N-BLAHyl-piperidine-4-carboxamide 1-[4-(trifluoromethyl)benzoyl]-N…

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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) 5.09 0.38 -19.34 1 5 0 62 483.515 4 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(methoxymethyl)benzamide N-benzo[e][1,3]benzothiazol-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) 4.47 9.28 -15.05 1 4 0 51 348.427 4 ↓
Hi High (pH 8-9.5) 4.54 8.38 -50.74 0 4 -1 58 347.419 4 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide N-benzo[e][1,3]benzothiazol-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) 4.03 9.3 -29.35 2 6 0 99 402.479 4 ↓

Analogs

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Popular Name: 7-Bromo-2-methyl-naphtho[1,2-d]thiazol-5-ol 7-Bromo-2-methyl-naphtho[1,2-d]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) 3.74 4.78 -7.22 1 2 0 33 294.173 0 ↓
Hi High (pH 8-9.5) 3.74 5.55 -40.99 0 2 -1 36 293.165 0 ↓

Analogs

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Popular Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-N,N-diphenyl-aniline 4-[(E)-2-benzo[e][1,3]benzothiaz…

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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) 8.76 18.53 -11.14 0 2 0 16 454.598 5 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-2-phenyl-thiazole-4-carboxamide N-benzo[e][1,3]benzothiazol-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) 5.63 10.49 -11.95 1 4 0 55 387.489 3 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(1-methyltetrazol-5-yl)sulfanyl-propanamide N-benzo[e][1,3]benzothiazol-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) 3.03 7.66 -21.71 1 7 0 86 370.463 5 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-2-(1-naphthyl)acetamide N-benzo[e][1,3]benzothiazol-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) 5.80 -0.73 -15.25 1 3 0 41 368.461 3 ↓

Analogs

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Popular Name: (3R)-1-(benzenesulfonyl)-N-benzo[e][1,3]benzothiazol-2-yl-piperidine-3-carboxamide (3R)-1-(benzenesulfonyl)-N-benzo…

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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) 4.54 9.44 -17.46 1 6 0 79 451.573 4 ↓

Analogs

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Popular Name: (3S)-1-(benzenesulfonyl)-N-benzo[e][1,3]benzothiazol-2-yl-piperidine-3-carboxamide (3S)-1-(benzenesulfonyl)-N-benzo…

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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) 4.54 9.44 -17.5 1 6 0 79 451.573 4 ↓

Analogs

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Popular Name: (3R)-N-benzo[e][1,3]benzothiazol-2-yl-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide (3R)-N-benzo[e][1,3]benzothiazol…

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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 9.96 -16.47 1 6 0 79 486.018 4 ↓

Analogs

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Popular Name: (3S)-N-benzo[e][1,3]benzothiazol-2-yl-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide (3S)-N-benzo[e][1,3]benzothiazol…

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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 9.96 -16.46 1 6 0 79 486.018 4 ↓

Analogs

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Popular Name: (3R)-N-benzo[e][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide (3R)-N-benzo[e][1,3]benzothiazol…

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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) 4.71 9.51 -16.81 1 6 0 79 469.563 4 ↓

Analogs

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Popular Name: (3S)-N-benzo[e][1,3]benzothiazol-2-yl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide (3S)-N-benzo[e][1,3]benzothiazol…

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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) 4.71 9.51 -16.79 1 6 0 79 469.563 4 ↓

Analogs

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Popular Name: methyl-[3-[(3-methylbenzothiazol-2-ylidene)methyl]pent-1-enyl]BLAH methyl-[3-[(3-methylbenzothiazol…

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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) 4.17 1.72 -26.93 0 2 1 8 429.634 4 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-3-[(2-methylthiazol-4-yl)methoxy]benzamide N-benzo[e][1,3]benzothiazol-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) 5.06 10.81 -15.41 1 5 0 64 431.542 5 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(thiazol-4-ylmethoxy)benzamide N-benzo[e][1,3]benzothiazol-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) 5.34 10.07 -15.3 1 5 0 64 417.515 5 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide N-benzo[e][1,3]benzothiazol-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) 5.55 10.69 -13.93 1 5 0 64 431.542 5 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[2-(2,4-dimethylphenyl)thiazol-4-yl]acetamide N-benzo[e][1,3]benzothiazol-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) 6.55 12.74 -17.21 1 4 0 55 429.57 4 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-3-(4H-1,2,4-triazol-3-ylsulfanylmethyl)benzofuran-2-carboxamide N-benzo[e][1,3]benzothiazol-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) 5.00 12.13 -14.16 2 7 0 97 457.54 5 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-ylpyridine-2-carboxamide N-benzo[e][1,3]benzothiazol-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) 3.37 7.89 -12.5 1 4 0 55 305.362 2 ↓

Analogs

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Popular Name: 3-(2-methylsulfanylbut-1-enylBLAHyl)propane-1-sulfonic 3-(2-methylsulfanylbut-1-enylBLA…

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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) -0.87 -5.57 -46.92 0 4 0 61 407.582 7 ↓

Analogs

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Popular Name: N-benzo[e][1,3]benzothiazol-2-yl-1-prop-2-ynyl-piperidine-4-carboxamide N-benzo[e][1,3]benzothiazol-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) 3.80 8.6 -13.68 1 4 0 45 349.459 3 ↓
Mid Mid (pH 6-8) 3.80 10.88 -50.5 2 4 1 46 350.467 3 ↓

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) 3.08 7.28 -18.31 1 6 0 72 329.381 4 ↓

Parameters Provided:

ring.id = 17848
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 = 17848 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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