UCSF

ZINC02539043

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Substance Information

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

Popular Name: 1-BUTYL-2-METHYLINDOLE 1-BUTYL-2-METHYLINDOLE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 42951-35-9 , [42951-35-9]

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) 3.89 2.1 -5.01 0 1 0 4 187.286 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US4343493; US4417059 IBM Patent Data

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