UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,8R,9R,10R,11S,13R,14S,17S)-11,17-dihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahy (5S,8R,9R,10R,11S,13R,14S,17S)-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) 2.49 3.94 -7.34 2 3 0 58 304.43 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,8R,9R,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahy (5S,8R,9R,10R,11S,13S,14S,17S)-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) 2.49 3.81 -7.68 2 3 0 58 304.43 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,8R,9R,10R,11R,13R,14S,17S)-11,17-dihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahy (5S,8R,9R,10R,11R,13R,14S,17S)-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) 2.49 4.27 -8.1 2 3 0 58 304.43 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,8R,9R,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahy (5S,8R,9R,10R,11R,13S,14S,17S)-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) 2.49 3.86 -8.32 2 3 0 58 304.43 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,8S,9R,10R,11R,13S,14R)-11-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclop (5R,8S,9R,10R,11R,13S,14R)-11-hy…

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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) 3.64 7.62 -5.95 1 2 0 37 288.431 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,8S,9R,10R,11R,13R,14R)-11-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclop (5R,8S,9R,10R,11R,13R,14R)-11-hy…

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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) 3.64 7.65 -5.85 1 2 0 37 288.431 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,8S,9R,10R,11R,13S,14S)-11-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclop (5R,8S,9R,10R,11R,13S,14S)-11-hy…

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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) 3.64 7.07 -5.92 1 2 0 37 288.431 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,8S,9R,10R,11R,13R,14S)-11-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclop (5R,8S,9R,10R,11R,13R,14S)-11-hy…

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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) 3.64 7.73 -5.9 1 2 0 37 288.431 0 ↓

Analogs

3914730
3914730
26267033
26267033

Draw Identity 99% 90% 80% 70%

Popular Name: chloromethyl chloromethyl

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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) 3.02 5.61 -10.42 2 5 0 84 396.911 3 ↓

Analogs

3914730
3914730
26267033
26267033

Draw Identity 99% 90% 80% 70%

Popular Name: chloromethyl chloromethyl

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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) 3.02 5.39 -10.54 2 5 0 84 396.911 3 ↓

Analogs

3914730
3914730
26267033
26267033

Draw Identity 99% 90% 80% 70%

Popular Name: chloromethyl chloromethyl

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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) 3.02 5.66 -10.98 2 5 0 84 396.911 3 ↓

Parameters Provided:

ring.id = 13297
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 = 13297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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