UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 1.65 0.9 -13.63 0 9 0 96 388.424 7 ↓

Analogs

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Popular Name: 2-[1-[5-(3-fluorophenyl)-1,2,4-triazin-3-yl]-4-piperidyl]ethanol 2-[1-[5-(3-fluorophenyl)-1,2,4-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) 2.11 -2.73 -8.74 1 5 0 62 302.353 4 ↓

Analogs

11842517
11842517

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Popular Name: 5-(4-chlorophenyl)-3-[(3R)-3-(methoxymethyl)-1-piperidyl]-1,2,4-triazine 5-(4-chlorophenyl)-3-[(3R)-3-(me…

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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) 2.81 -1.52 -9.1 0 5 0 51 318.808 4 ↓

Analogs

11842516
11842516

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Popular Name: 5-(4-chlorophenyl)-3-[(3S)-3-(methoxymethyl)-1-piperidyl]-1,2,4-triazine 5-(4-chlorophenyl)-3-[(3S)-3-(me…

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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) 2.81 -1.53 -9.13 0 5 0 51 318.808 4 ↓

Analogs

12002807
12002807

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Popular Name: 5-(3-fluoro-4-methoxy-phenyl)-3-[(3R)-3-(methoxymethyl)-1-piperidyl]-1,2,4-triazine 5-(3-fluoro-4-methoxy-phenyl)-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) 2.29 -0.6 -13.32 0 6 0 60 332.379 5 ↓

Analogs

12002801
12002801

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Popular Name: 5-(3-fluoro-4-methoxy-phenyl)-3-[(3S)-3-(methoxymethyl)-1-piperidyl]-1,2,4-triazine 5-(3-fluoro-4-methoxy-phenyl)-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) 2.29 -0.61 -13.22 0 6 0 60 332.379 5 ↓

Analogs

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Popular Name: N-[2-[1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-piperidyl]ethyl]acetamide N-[2-[1-[5-(4-chlorophenyl)-1,2,…

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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) 2.43 -2.95 -13.95 1 6 0 71 359.861 5 ↓

Analogs

12029735
12029735

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Popular Name: 5-(3-fluorophenyl)-3-[(3R)-3-propoxy-1-piperidyl]-1,2,4-triazine 5-(3-fluorophenyl)-3-[(3R)-3-pro…

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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) 2.77 -0.78 -7.64 0 5 0 51 316.38 5 ↓

Analogs

12029733
12029733

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Popular Name: 5-(3-fluorophenyl)-3-[(3S)-3-propoxy-1-piperidyl]-1,2,4-triazine 5-(3-fluorophenyl)-3-[(3S)-3-pro…

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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) 2.77 -0.78 -7.72 0 5 0 51 316.38 5 ↓

Analogs

12210192
12210192

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Popular Name: 3-[(3S)-1-[5-(2,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]-3-piperidyl]propan-1-ol 3-[(3S)-1-[5-(2,4-dimethoxypheny…

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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) 2.10 -3.27 -13.06 1 7 0 81 358.442 7 ↓

Analogs

12210187
12210187

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Popular Name: 3-[(3R)-1-[5-(2,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]-3-piperidyl]propan-1-ol 3-[(3R)-1-[5-(2,4-dimethoxypheny…

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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) 2.10 -3.27 -13.05 1 7 0 81 358.442 7 ↓

Analogs

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Popular Name: 1-butyl-5-phenyl-3-piperidino-1,2,4-triazin-1-ium 1-butyl-5-phenyl-3-piperidino-1,…

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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) 0.47 13.38 -28.72 0 4 1 33 297.426 5 ↓

Parameters Provided:

ring.id = 47813
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 = 47813 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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