UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

119967
119967
155356
155356
525571
525571
1069133
1069133
3881689
3881689

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Popular Name: 3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione 3,5a,9-trimethyl-3a,5,5a,9b-tetr…

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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) 1.31 7.84 -13.76 0 3 0 43 246.306 0 ↓

Analogs

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Popular Name: (3R,3aS,5aR,9bS)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-ben (3R,3aS,5aR,9bS)-3-(3,4-dihydro-…

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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) 2.36 13.14 -59.34 1 4 1 48 378.492 2 ↓
Mid Mid (pH 6-8) 2.36 11.01 -12.2 0 4 0 47 377.484 2 ↓

Analogs

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Popular Name: (3R,3aS,5aR,9bS)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H (3R,3aS,5aR,9bS)-3-[[4-(4-methox…

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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) 2.61 10.22 -17 0 6 0 59 436.552 4 ↓

Analogs

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Popular Name: (3R,3aS,5aR,9bS)-5a,9-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]be (3R,3aS,5aR,9bS)-5a,9-dimethyl-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) 0.86 8.69 -53.05 1 5 1 51 345.463 2 ↓
Hi High (pH 8-9.5) 0.86 6.31 -12.22 0 5 0 50 344.455 2 ↓
Mid Mid (pH 6-8) 0.86 8.44 -56.2 1 5 1 51 345.463 2 ↓

Analogs

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Popular Name: (3R,3aS,5aR,9bS)-3-[(3,3-dimethyl-1-piperidyl)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g] (3R,3aS,5aR,9bS)-3-[(3,3-dimethy…

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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) 2.53 12.11 -54.7 1 4 1 48 358.502 2 ↓
Hi High (pH 8-9.5) 2.53 10.36 -11.81 0 4 0 47 357.494 2 ↓

Analogs

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Popular Name: (3R,3aS,5aR,9bS)-3-[(4-benzyl-1-piperidyl)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benz (3R,3aS,5aR,9bS)-3-[(4-benzyl-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) 3.54 15.23 -52.82 1 4 1 48 420.573 4 ↓
Hi High (pH 8-9.5) 3.54 13.07 -14.79 0 4 0 47 419.565 4 ↓

Parameters Provided:

ring.id = 460
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 = 460 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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