UCSF

ZINC21299179

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 12 Yes

Popular Name: methyl 5-amino-2-methylbenzoate methyl 5-amino-2-methylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18595-12-5 , [18595-12-5]

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) 1.22 3.53 -7.5 2 3 0 52 165.192 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 38 - 40 Enamine Building Blocks
MP 38...40 Enamine Building Blocks
Melting_Point 39-40? Alfa-Aesar
MP 39-40° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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