UCSF

ZINC00257637

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 1-Ethyl-1H-indole-3-carbaldehyde 1-Ethyl-1H-indole-3-carbaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 58494-59-0 , [58494-59-0]

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) 2.32 2.23 -7.53 0 2 0 22 173.215 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 104 - 106 Enamine Building Blocks
MP 104...106 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US6150395 IBM Patent Data

Activity (Go SEA)

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