UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41532788
41532788
35416337
35416337

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Popular Name: (2S)-2-cyano-3-phenyl-N-(thiazol-2-ylmethyl)propanamide (2S)-2-cyano-3-phenyl-N-(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) 1.44 5.38 -11.46 1 4 0 66 271.345 5 ↓

Analogs

41532788
41532788
35416337
35416337

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Popular Name: (2R)-2-cyano-3-phenyl-N-(thiazol-2-ylmethyl)propanamide (2R)-2-cyano-3-phenyl-N-(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) 1.44 5.38 -9.75 1 4 0 66 271.345 5 ↓

Analogs

45040330
45040330
49276467
49276467
49276470
49276470
41532791
41532791
29886187
29886187

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Popular Name: (2S)-2-cyano-N-[(4-methylthiazol-2-yl)methyl]-3-phenyl-propanamide (2S)-2-cyano-N-[(4-methylthiazol…

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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 5.98 -11.55 1 4 0 66 285.372 5 ↓

Analogs

45040330
45040330
49276467
49276467
49276470
49276470
41532791
41532791
29886187
29886187

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Popular Name: (2R)-2-cyano-N-[(4-methylthiazol-2-yl)methyl]-3-phenyl-propanamide (2R)-2-cyano-N-[(4-methylthiazol…

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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 5.99 -9.76 1 4 0 66 285.372 5 ↓

Analogs

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Popular Name: 3-(4-aminophenyl)-N-[(4-methylthiazol-2-yl)methyl]propanamide 3-(4-aminophenyl)-N-[(4-methylth…

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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) 1.10 3.76 -9.38 3 4 0 68 275.377 5 ↓

Analogs

41317648
41317648
41340100
41340100

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Popular Name: 2-[(3-phenylpropanoyl-propyl-amino)methyl]-N-propyl-thiazole-4-carboxamide 2-[(3-phenylpropanoyl-propyl-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) 3.24 8.78 -14.08 1 5 0 62 373.522 10 ↓

Analogs

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Popular Name: 3-(4-bromo-2-fluoro-phenyl)-N-(thiazol-2-ylmethyl)propanamide 3-(4-bromo-2-fluoro-phenyl)-N-(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) 2.70 5.93 -9.34 1 3 0 42 343.221 5 ↓

Analogs

6138707
6138707
6138709
6138709

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Popular Name: (2S)-N-[[4-(diethylaminomethyl)thiazol-2-yl]methyl]-2-methyl-3-phenyl-propanamide (2S)-N-[[4-(diethylaminomethyl)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) 2.83 9.27 -38.06 2 4 1 46 346.52 9 ↓
Hi High (pH 8-9.5) 2.83 6.82 -8.03 1 4 0 45 345.512 9 ↓

Analogs

44825794
44825794
44825795
44825795
44849136
44849136
44849140
44849140

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Popular Name: 3-phenyl-N-(thiazol-2-ylmethyl)propanamide 3-phenyl-N-(thiazol-2-ylmethyl)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) 1.80 5.27 -8.58 1 3 0 42 246.335 5 ↓

Analogs

44825816
44825816
44825817
44825817
44849220
44849220
44849224
44849224
37988471
37988471

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Popular Name: N-[(4-methylthiazol-2-yl)methyl]-3-phenyl-propanamide N-[(4-methylthiazol-2-yl)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) 2.02 5.88 -8.65 1 3 0 42 260.362 5 ↓

Analogs

44825816
44825816
44825817
44825817
44849220
44849220
44849224
44849224

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Popular Name: (2S)-3-(3-fluorophenyl)-2-methyl-N-[(4-methylthiazol-2-yl)methyl]propanamide (2S)-3-(3-fluorophenyl)-2-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) 2.39 6.42 -8.66 1 3 0 42 292.379 5 ↓

Analogs

44825816
44825816
44825817
44825817
44849220
44849220
44849224
44849224

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(3-fluorophenyl)-2-methyl-N-[(4-methylthiazol-2-yl)methyl]propanamide (2R)-3-(3-fluorophenyl)-2-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) 2.39 6.42 -8.81 1 3 0 42 292.379 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-N-[(4-methylthiazol-2-yl)methyl]propanamide 3-(4-chlorophenyl)-N-[(4-methylt…

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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) 2.70 6.4 -8.78 1 3 0 42 294.807 5 ↓

Parameters Provided:

ring.id = 10102
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 = 10102 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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