UCSF

ZINC71790335

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 19 No

Popular Name: 2-[3-(2H-1,2,3,4-tetrazol-5-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione 2-[3-(2H-1,2,3,4-tetrazol-5-yl)p…

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CAS Number: 254431-67-9

Other Names:

MFCD20501982

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) 1.02 3.92 -47 0 7 -1 92 256.245 4 ↓
Lo Low (pH 4.5-6) 1.02 3.92 -12.74 1 7 0 94 257.253 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 79 - 81 Enamine Building Blocks
MP 79...81 Enamine Building Blocks
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.