UCSF

ZINC04293850

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 12 Yes

Popular Name: 5-Benzyl-1H-tetrazole 5-Benzyl-1H-tetrazole

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CAS Numbers: 18489-25-3 , [18489-25-3]

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) 1.32 3.55 -37.83 0 4 -1 53 159.172 2 ↓
Lo Low (pH 4.5-6) 1.32 3.54 -5.97 1 4 0 54 160.18 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 123 - 125 KeyOrganics
MP 127 TCI

Activity (Go SEA)

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