UCSF

ZINC04245453

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 No

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

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CAS Numbers: , 119491-09-7

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) 3.38 8.41 -12.78 0 2 0 22 201.269 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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