UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 4-ethyl-3-[(3-methylisoxazol-5-y…

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) 2.54 5.46 -58.21 0 6 -1 100 308.335 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-(isoxazol-5-ylmethylsulfonyl)benzoic 4-ethyl-3-(isoxazol-5-ylmethylsu…

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) 2.32 4.87 -58.37 0 6 -1 100 294.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 2,4-dimethyl-5-[(3-methylisoxazo…

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) 2.11 5.5 -66.67 0 6 -1 100 308.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(isoxazol-5-ylmethylsulfonyl)-2,4-dimethyl-benzoic 5-(isoxazol-5-ylmethylsulfonyl)-…

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) 1.89 4.92 -66.79 0 6 -1 100 294.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 4-[(3-methylisoxazol-5-yl)methyl…

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) 1.26 4.27 -55.32 0 6 -1 100 280.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(isoxazol-5-ylmethylsulfonyl)benzoic 3-(isoxazol-5-ylmethylsulfonyl)b…

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) 1.01 3.67 -56.03 0 6 -1 100 266.254 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 2-methoxy-5-[(3-methylisoxazol-5…

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) 1.32 4.33 -61.34 0 7 -1 110 310.307 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(isoxazol-5-ylmethylsulfonyl)-2-methoxy-benzoic 5-(isoxazol-5-ylmethylsulfonyl)-…

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) 1.10 3.74 -67.04 0 7 -1 110 296.28 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-fluoro-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 5-bromo-2-fluoro-3-[(3-methyliso…

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) 2.19 4.87 -53.98 0 6 -1 100 377.167 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-fluoro-3-(isoxazol-5-ylmethylsulfonyl)benzoic 5-bromo-2-fluoro-3-(isoxazol-5-y…

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) 1.97 4.28 -54.06 0 6 -1 100 363.14 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 2-bromo-5-[(3-methylisoxazol-5-y…

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) 1.66 4.75 -53.25 0 6 -1 100 359.177 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-fluoro-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 5-chloro-2-fluoro-3-[(3-methylis…

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) 2.06 4.76 -54.08 0 6 -1 100 332.716 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-fluoro-3-(isoxazol-5-ylmethylsulfonyl)benzoic 5-chloro-2-fluoro-3-(isoxazol-5-…

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) 1.84 4.18 -54.11 0 6 -1 100 318.689 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 3,4-dimethyl-5-[(3-methylisoxazo…

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) 2.45 5.39 -66.59 0 6 -1 100 308.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(isoxazol-5-ylmethylsulfonyl)-4,5-dimethyl-benzoic 3-(isoxazol-5-ylmethylsulfonyl)-…

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) 2.23 4.8 -66.75 0 6 -1 100 294.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 2-methyl-5-[(3-methylisoxazol-5-…

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) 1.30 4.91 -62.69 0 6 -1 100 294.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dichloro-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 2,6-dichloro-3-[(3-methylisoxazo…

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) 2.57 4.93 -53.7 0 6 -1 100 349.171 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dichloro-3-(isoxazol-5-ylmethylsulfonyl)benzoic 2,6-dichloro-3-(isoxazol-5-ylmet…

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) 2.35 4.35 -53.81 0 6 -1 100 335.144 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 2,4-dichloro-5-[(3-methylisoxazo…

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) 2.57 5.05 -49.44 0 6 -1 100 349.171 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-5-(isoxazol-5-ylmethylsulfonyl)benzoic 2,4-dichloro-5-(isoxazol-5-ylmet…

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) 2.35 4.46 -49.61 0 6 -1 100 335.144 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 4-methyl-3-[(3-methylisoxazol-5-…

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) 2.07 4.88 -59.75 0 6 -1 100 294.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(isoxazol-5-ylmethylsulfonyl)-4-methyl-benzoic 3-(isoxazol-5-ylmethylsulfonyl)-…

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) 1.85 4.29 -59.9 0 6 -1 100 280.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(3-methylisoxazol-5-yl)methylsulfonyl]phenyl]propanoic 3-[4-[(3-methylisoxazol-5-yl)met…

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) 1.29 5.85 -54.45 0 6 -1 100 308.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(isoxazol-5-ylmethylsulfonyl)phenyl]propanoic 3-[4-(isoxazol-5-ylmethylsulfony…

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) 1.07 5.27 -55.04 0 6 -1 100 294.308 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 2-fluoro-5-[(3-methylisoxazol-5-…

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) 1.01 4.29 -57.71 0 6 -1 100 298.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 4-fluoro-3-[(3-methylisoxazol-5-…

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) 1.79 4.29 -52.64 0 6 -1 100 298.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-(isoxazol-5-ylmethylsulfonyl)benzoic 4-fluoro-3-(isoxazol-5-ylmethyls…

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) 1.57 3.71 -52.76 0 6 -1 100 284.244 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 2,6-difluoro-3-[(3-methylisoxazo…

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) 1.54 4.28 -62 0 6 -1 100 316.261 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-3-(isoxazol-5-ylmethylsulfonyl)benzoic 2,6-difluoro-3-(isoxazol-5-ylmet…

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) 1.32 3.7 -62.08 0 6 -1 100 302.234 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 4-chloro-3-[(3-methylisoxazol-5-…

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) 2.30 4.66 -51.79 0 6 -1 100 314.726 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 2-chloro-5-[(3-methylisoxazol-5-…

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) 1.53 4.65 -54.15 0 6 -1 100 314.726 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic 4-bromo-3-[(3-methylisoxazol-5-y…

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) 2.43 4.77 -51.18 0 6 -1 100 359.177 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-(isoxazol-5-ylmethylsulfonyl)benzoic 4-bromo-3-(isoxazol-5-ylmethylsu…

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) 2.21 4.19 -51.36 0 6 -1 100 345.15 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-methoxyphenyl)sulfonylmethyl]-3-methyl-isoxazole 5-[(2-methoxyphenyl)sulfonylmeth…

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) 1.80 3.5 -17.29 0 5 0 69 267.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-(m-tolylsulfonylmethyl)isoxazole 3-methyl-5-(m-tolylsulfonylmethy…

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) 1.77 4.37 -15.99 0 4 0 60 251.307 3 ↓

Parameters Provided:

ring.id = 489774
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 = 489774 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=489774&filter.purchasability=annotated

Embed Link to Results