UCSF

ZINC02517165

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 1-Acetyl-5-bromoindolin-3-one 1-Acetyl-5-bromoindolin-3-one

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CAS Numbers: 106698-07-1 , 114165-30-9 , [106698-07-1] , [114165-30-9]

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) 1.52 5.3 -9.99 0 3 0 37 254.083 0 ↓
Ref Reference (pH 7) 2.98 3.86 -10.16 1 3 0 42 254.083 0 ↓
Mid Mid (pH 6-8) 2.98 4.53 -42.46 0 3 -1 45 253.075 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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