UCSF

ZINC19735115

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 No

Popular Name: 1-(3-Fluorophenyl)biguanide hydrochloride 1-(3-Fluorophenyl)biguanide hydr…

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CAS Numbers: 2267-49-4 , [2267-49-4]

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) 0.46 5.4 -32.22 7 5 1 100 196.209 4 ↓
Mid Mid (pH 6-8) 0.20 3 -12.63 6 5 0 103 195.201 2 ↓
Mid Mid (pH 6-8) 0.46 5.39 -8.51 6 5 0 98 195.201 4 ↓
Mid Mid (pH 6-8) 0.46 5.49 -4.83 6 5 0 98 195.201 4 ↓
Lo Low (pH 4.5-6) 0.33 4.47 -31.39 7 5 1 102 196.209 3 ↓
Lo Low (pH 4.5-6) 0.33 5.28 -6.11 6 5 0 100 195.201 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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