UCSF

ZINC69558577

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 25 Yes

Popular Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxylic acid 2-(3,4-dihydro-2H-1,5-benzodioxe…

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CAS Number: 1311885-02-5

Other Names:

MFCD22578673

Download: MOL2 SDF SMILES Flexibase

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) 1.20 7.14 -51.91 0 7 -1 88 348.375 6 ↓
Lo Low (pH 4.5-6) 1.20 4.76 -14.94 1 7 0 85 349.383 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.