UCSF

ZINC00080838

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 1-acetylindolin-5-amine 1-acetylindolin-5-amine

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CAS Number: 4993-96-8

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) 0.45 3.26 -8.64 2 3 0 46 176.219 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 180-182° Matrix Scientific
MP 182-185° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Warnings Irritant Matrix Scientific

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