UCSF

ZINC01440335

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 11 Yes

Popular Name: 4-Iodo-3-methylbenzoic acid 4-Iodo-3-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52107-87-6 , [52107-87-6]

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) 3.31 0.29 -45.83 0 2 -1 40 261.038 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 218 - 220 Enamine Building Blocks
MP 218...220 Enamine Building Blocks
MP 221-222° Oakwood Chemical
MP 223-225° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings LIGHT SENSITIVE Matrix Scientific

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

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