UCSF

ZINC19505844

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 11 Yes

Popular Name: (S)-5-bromo-2,3-dihydro-1H-inden-1-amine (S)-5-bromo-2,3-dihydro-1H-inden…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1197595-75-7 , 185122-74-1 , 903557-29-9 , 916210-93-0 , [903557-29-9] , [916210-93-0]

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) 0.48 4.24 -50.1 3 1 1 28 213.098 0 ↓
Hi High (pH 8-9.5) 0.48 3.92 -3.27 2 1 0 26 212.09 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 286 - 288 Enamine Building Blocks
MP 286...288 Enamine Building Blocks
MP 53 - 55 Enamine Building Blocks
MP 53...55 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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