UCSF

ZINC02456171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 10 Yes

Popular Name: 3-BROMOPYRIDINE-2-CARBOXYLIC ACID 3-BROMOPYRIDINE-2-CARBOXYLIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1189933-55-8 , 1403967-63-4 , 21427-62-3 , 30683-23-9 , [30683-23-9]

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) 1.49 2.81 -53.08 0 3 -1 53 200.999 1 ↓
Hi High (pH 8-9.5) 1.62 5.59 -54.06 5 10 1 128 465.534 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 141-144 Matrix Scientific
Melting_Point 141-144? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% 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.