UCSF

ZINC02599086

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 10 Yes

Popular Name: (4,6-Dichloropyridin-3-yl)methanol (4,6-Dichloropyridin-3-yl)methanol

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CAS Numbers: 73998-95-5 , [73998-95-5]

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) 1.66 1.1 -4.28 1 2 0 33 178.018 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 82 - 83 KeyOrganics
MP 82-83° Matrix Scientific
MP 83 - 85 Enamine Building Blocks
MP 83...85 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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