UCSF

ZINC12402909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 13 Yes

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

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CAS Numbers: 1033225-43-2 , 21871-47-6

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) 1.76 4.16 -38.25 0 4 -1 53 191.239 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 133 TCI

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Rings

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

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