UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4213908
4213908
11681418
11681418
29401107
29401107
29401110
29401110

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Popular Name: cyclopropylmethyl-methoxy-methyl-BLAHol cyclopropylmethyl-methoxy-methyl…

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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) 3.01 -0.5 -40.72 2 3 1 33 288.411 3 ↓

Analogs

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Popular Name: cyclopropylmethyl-N-trimethyl-BLAHamine cyclopropylmethyl-N-trimethyl-BL…

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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) 4.12 9.7 -33.43 2 2 1 16 285.455 3 ↓

Analogs

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Popular Name: cyclopropylmethyl-N,N-tetramethyl-BLAHamine cyclopropylmethyl-N,N-tetramethy…

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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) 4.37 11.29 -33.85 1 2 1 8 299.482 3 ↓
Lo Low (pH 4.5-6) 4.37 12.08 -38.29 2 2 0 9 300.49 3 ↓

Analogs

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Popular Name: cyclopropylmethyl-dimethyl-nitro-BLAH cyclopropylmethyl-dimethyl-nitro…

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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) 4.23 11.61 -47.33 1 4 1 50 301.41 3 ↓

Analogs

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Popular Name: cyclopropylmethyl-dimethyl-nitro-BLAH cyclopropylmethyl-dimethyl-nitro…

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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) 4.23 11.47 -48.66 1 4 1 50 301.41 3 ↓

Analogs

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Popular Name: cyclopropylmethyl(dimethyl)BLAHamine cyclopropylmethyl(dimethyl)BLAHa…

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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) 3.34 8.78 -33.15 3 2 1 30 271.428 2 ↓

Analogs

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Popular Name: cyclopropylmethyl(diethyl)BLAHamine cyclopropylmethyl(diethyl)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) 4.17 9.86 -33.04 3 2 1 30 299.482 4 ↓

Analogs

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Popular Name: cyclopropylmethyl(diethyl)BLAHamine cyclopropylmethyl(diethyl)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) 4.17 9.72 -34.45 3 2 1 30 299.482 4 ↓

Parameters Provided:

ring.id = 348
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 = 348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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