UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: BLAHamine BLAHamine

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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) 2.50 5.28 -4.63 2 2 0 29 188.274 0 ↓
Lo Low (pH 4.5-6) 2.50 5.9 -29.65 3 2 1 30 189.282 0 ↓
Lo Low (pH 4.5-6) 2.50 5.13 -40.79 3 2 1 31 189.282 0 ↓

Analogs

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Popular Name: (5Z)-1-butyl-2-thioxo-5-(BLAHylmethylene)hexahydropyrimidine-4,6-dione (5Z)-1-butyl-2-thioxo-5-(BLAHylm…

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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) 3.67 9.1 -41.31 0 5 -1 61 382.509 4 ↓
Mid Mid (pH 6-8) 3.22 10.18 -8.61 1 5 0 58 383.517 4 ↓

Analogs

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Popular Name: [(E)-[(5,7-dichloro-8-hydroxy-2-quinolyl)hydrazono]methyl]BLAHol [(E)-[(5,7-dichloro-8-hydroxy-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) 5.63 7.65 -11.72 3 6 0 81 443.334 3 ↓
Mid Mid (pH 6-8) 5.63 8.42 -55.65 2 6 -1 84 442.326 3 ↓
Lo Low (pH 4.5-6) 5.63 8.27 -40.03 4 6 1 82 444.342 3 ↓

Analogs

4181169
4181169
4181171
4181171

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Popular Name: 9-nitro-1,7-dimethyl-1,7-diphenyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline 9-nitro-1,7-dimethyl-1,7-dipheny…

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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) 6.14 13.97 -8.82 0 4 0 49 398.506 3 ↓

Analogs

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Popular Name: 5,6-dimethyl-4-BLAHyloxy-thieno[2,3-d]pyrimidine 5,6-dimethyl-4-BLAHyloxy-thieno[…

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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) 4.85 -3.1 -8.56 0 4 0 38 351.475 2 ↓

Analogs

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Popular Name: 8-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline 8-{[5-(4-fluorophenyl)thieno[2,3…

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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) 6.14 -1.33 -8.79 0 4 0 38 417.509 3 ↓

Analogs

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Popular Name: 1H,5H-Benzo(ij)quinolizin-9-ol, 2,3,6,7-tetrahydro-; 2,3,6,7-Tetrahydro-1H,5H-benzo(ij)quinolizin-9-ol; 9-Hydroxyjulolidine; BRN 4293623; LS-40285 1H,5H-Benzo(ij)quinolizin-9-ol, …

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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 -3.21 -5.1 1 2 0 23 189.258 0 ↓

Analogs

21819585
21819585
31997188
31997188
31997194
31997194
31997197
31997197
32003380
32003380

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Popular Name: 1H,5H-Benzo(ij)quinolizine, 2,3,6,7-tetrahydro-9-methyl-; 9-Methyl-2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizine; 9-Methyljulolidine; BRN 0146641; LS-40261 1H,5H-Benzo(ij)quinolizine, 2,3,…

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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) 3.46 -0.89 -3.6 0 1 0 3 187.286 0 ↓

Parameters Provided:

ring.id = 23635
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 = 23635 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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