UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4213359
4213359
5736145
5736145
5752379
5752379

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Popular Name: LS-20364 LS-20364

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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) 5.03 5.13 -38.15 1 1 1 4 348.432 5 ↓

Analogs

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Popular Name: 9,10-dihydroanthracen-9-ol 9,10-dihydroanthracen-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) 2.96 -1.02 -5.66 1 1 0 20 196.249 0 ↓

Analogs

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Popular Name: N-(3,3,3-trifluoropropyl)-9,10-dihydroanthracen-9-amine N-(3,3,3-trifluoropropyl)-9,10-d…

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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) 4.57 8.66 -4.59 1 1 0 12 291.316 4 ↓
Mid Mid (pH 6-8) 4.57 9.84 -42.53 2 1 1 17 292.324 4 ↓

Analogs

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Popular Name: 9,10-dihydroanthracene-2,6-diol 9,10-dihydroanthracene-2,6-diol

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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) 2.99 3.41 -6.88 2 2 0 40 212.248 0 ↓

Analogs

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Popular Name: N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-9,10-dihydroanthracen-9-amine N-[(1S)-2-cyclopropyl-1-methyl-e…

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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 11.49 -32.59 2 1 1 17 278.419 4 ↓
Hi High (pH 8-9.5) 4.85 10.53 -2.69 1 1 0 12 277.411 4 ↓

Analogs

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Popular Name: N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-9,10-dihydroanthracen-9-amine N-[(1R)-2-cyclopropyl-1-methyl-e…

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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 11.48 -33.31 2 1 1 17 278.419 4 ↓
Hi High (pH 8-9.5) 4.85 10.69 -2.91 1 1 0 12 277.411 4 ↓

Analogs

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Popular Name: N-(1,1-dimethylprop-2-ynyl)-9,10-dihydroanthracen-9-amine N-(1,1-dimethylprop-2-ynyl)-9,10…

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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) 4.34 7.78 -5.25 1 1 0 12 261.368 2 ↓
Lo Low (pH 4.5-6) 4.34 8.88 -33.54 2 1 1 17 262.376 2 ↓

Parameters Provided:

ring.id = 243
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 = 243 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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