UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-acetylamino-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-3-(p-tolyl)propanamide 3-acetylamino-N-[4-(4-ethoxyphen…

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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) 3.04 -1.2 -12.99 2 6 0 80 437.565 8 ↓

Analogs

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Popular Name: 3-acetylamino-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-3-(p-tolyl)propanamide 3-acetylamino-N-[4-(4-ethoxyphen…

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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) 3.04 -1.12 -18.74 2 6 0 80 437.565 8 ↓

Analogs

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Popular Name: 3-acetylamino-3-(p-tolyl)-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]-propanamide 3-acetylamino-3-(p-tolyl)-N-[4-(…

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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) 3.59 -0.3 -17.61 2 5 0 71 421.566 6 ↓

Analogs

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Popular Name: 3-acetylamino-3-(p-tolyl)-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]-propanamide 3-acetylamino-3-(p-tolyl)-N-[4-(…

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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) 3.59 -0.3 -11.63 2 5 0 71 421.566 6 ↓

Analogs

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Popular Name: 3-acetylamino-N-[4-(4-chlorophenyl)thiazol-2-yl]-3-(p-tolyl)propanamide 3-acetylamino-N-[4-(4-chlorophen…

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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) 3.07 -1.17 -17.32 2 5 0 71 413.93 6 ↓

Analogs

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Popular Name: 3-acetylamino-N-[4-(4-chlorophenyl)thiazol-2-yl]-3-(p-tolyl)propanamide 3-acetylamino-N-[4-(4-chlorophen…

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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) 3.07 -1.24 -11.73 2 5 0 71 413.93 6 ↓

Analogs

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Popular Name: N-[4-[4-(1-acetylaminoethyl)phenyl]thiazol-2-yl]-3-phenyl-butanamide N-[4-[4-(1-acetylaminoethyl)phen…

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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) 4.20 -0.94 -15.56 2 5 0 71 407.539 7 ↓

Analogs

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Popular Name: N-[4-[4-(1-acetylaminoethyl)phenyl]thiazol-2-yl]-3-phenyl-butanamide N-[4-[4-(1-acetylaminoethyl)phen…

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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) 4.20 -0.92 -15.51 2 5 0 71 407.539 7 ↓

Analogs

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Popular Name: N-[4-[4-(1-acetylaminoethyl)phenyl]thiazol-2-yl]-3-phenyl-butanamide N-[4-[4-(1-acetylaminoethyl)phen…

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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) 4.20 -0.92 -15.49 2 5 0 71 407.539 7 ↓

Analogs

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Popular Name: N-[4-[4-(1-acetylaminoethyl)phenyl]thiazol-2-yl]-3-phenyl-butanamide N-[4-[4-(1-acetylaminoethyl)phen…

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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) 4.20 -0.92 -15.51 2 5 0 71 407.539 7 ↓

Analogs

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Popular Name: N-(4-phenylthiazol-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide N-(4-phenylthiazol-2-yl)-3-(2,3,…

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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) 3.99 9.29 -13.98 1 6 0 70 398.484 8 ↓

Analogs

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Popular Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)propanamide N-[4-(4-fluorophenyl)thiazol-2-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) 4.16 9.35 -13.8 1 6 0 70 416.474 8 ↓

Analogs

1285117
1285117

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Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-3-phenyl-propionamide N-[4-(4-bromophenyl)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) 4.97 -0.93 -9.32 1 3 0 41 387.302 5 ↓

Analogs

1285122
1285122
1285168
1285168
2610122
2610122
6221715
6221715
6221747
6221747

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Popular Name: 3-phenyl-N-(4-p-phenetylthiazol-2-yl)propionamide 3-phenyl-N-(4-p-phenetylthiazol-…

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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) 4.60 -0.13 -10.79 1 4 0 51 352.459 7 ↓

Analogs

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Popular Name: (3S)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-phenyl-butanamide (3S)-N-[4-(3,4-dimethoxyphenyl)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) 4.36 9.73 -13.16 1 5 0 60 382.485 7 ↓

Analogs

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Popular Name: (3R)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-phenyl-butanamide (3R)-N-[4-(3,4-dimethoxyphenyl)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) 4.36 9.73 -13.16 1 5 0 60 382.485 7 ↓

Analogs

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Popular Name: (3S)-3-acetamido-N-[4-(3-bromophenyl)thiazol-2-yl]-3-phenyl-propanamide (3S)-3-acetamido-N-[4-(3-bromoph…

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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) 2.73 9.57 -18.23 2 5 0 71 444.354 6 ↓

Analogs

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Popular Name: (3R)-3-acetamido-N-[4-(3-bromophenyl)thiazol-2-yl]-3-phenyl-propanamide (3R)-3-acetamido-N-[4-(3-bromoph…

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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) 2.73 9.55 -17.99 2 5 0 71 444.354 6 ↓

Parameters Provided:

ring.id = 18955
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 = 18955 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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