UCSF

ZINC62801459

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 15 Yes

Popular Name: 6-(1H-1,2,3,4-tetrazol-5-yl)quinoline hydrochloride 6-(1H-1,2,3,4-tetrazol-5-yl)quin…

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CAS Number: 1803600-77-2

Other Names:

MFCD28139441

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) 1.35 3.25 -40.66 0 5 -1 66 196.193 1 ↓

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.