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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4168312
4168312
4168313
4168313
3644757
3644757

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(phenylsulfanylmethyl)BLAH (4-fluorophenyl)-(phenylsulfanyl…

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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) 6.35 0.23 -7.11 1 1 0 12 387.523 4 ↓

Analogs

4168313
4168313
3644757
3644757
4168309
4168309

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(phenylsulfanylmethyl)BLAH (4-fluorophenyl)-(phenylsulfanyl…

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Activity (Go SEA)

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) 6.35 0.58 -7.23 1 1 0 12 387.523 4 ↓

Analogs

3644757
3644757
4168309
4168309
4168312
4168312

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(phenylsulfanylmethyl)BLAH (4-fluorophenyl)-(phenylsulfanyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.35 0.69 -5.91 1 1 0 12 387.523 4 ↓

Analogs

4168349
4168349
4168350
4168350
12469739
12469739
12469743
12469743
3644773
3644773

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(phenylsulfanylmethylBLAHyl)benzoic 4-(phenylsulfanylmethylBLAHyl)be…

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Activity (Go SEA)

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) 6.10 -0.93 -61.69 1 3 -1 52 412.534 5 ↓

Analogs

4168350
4168350
12469739
12469739
12469743
12469743
3644773
3644773

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(phenylsulfanylmethylBLAHyl)benzoic 4-(phenylsulfanylmethylBLAHyl)be…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.10 -0.57 -57.64 1 3 -1 52 412.534 5 ↓

Analogs

12469739
12469739
12469743
12469743
3644773
3644773

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(phenylsulfanylmethylBLAHyl)benzoic 4-(phenylsulfanylmethylBLAHyl)be…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.10 -0.47 -52.44 1 3 -1 52 412.534 5 ↓

Parameters Provided:

ring.id = 246496
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 = 246496 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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