UCSF

ZINC06119231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 6 Yes

Popular Name: 3-Bromo-1H-1,2,4-triazole 3-Bromo-1H-1,2,4-triazole

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CAS Numbers: 7343-33-1 , [7343-33-1]

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) 0.52 2.32 -10.68 1 3 0 42 147.963 0 ↓
Mid Mid (pH 6-8) 0.52 2.07 -32.12 0 3 -1 40 146.955 0 ↓
Mid Mid (pH 6-8) 0.52 2.24 -4.32 1 3 0 42 147.963 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 187-189° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Light Sensitive/Stored under Argon Matrix Scientific

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

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