UCSF

ZINC66054835

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 13 Yes

Popular Name: 5-BROMO-1,4,6-TRIMETHYL-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE 5-BROMO-1,4,6-TRIMETHYL-2,3-DIHY…

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CAS Number: 627098-12-8

Other Names:

MFCD18711512

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.69 6.84 -23.71 1 2 1 17 242.14 0 ↓
Mid Mid (pH 6-8) 2.69 6.45 -5.58 0 2 0 16 241.132 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Rings

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

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