UCSF

ZINC04073042

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 16 Yes

Popular Name: 3-BroMo-2,5,6-triMethoxybenzoic Acid 3-BroMo-2,5,6-triMethoxybenzoic …

Find On: PubMed — Wikipedia — Google

CAS Number: 101460-22-4

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) 2.08 0.78 -54.68 0 5 -1 67 290.089 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 96 TCI
melting_point 96 - 98 KeyOrganics

Activity (Go SEA)

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