UCSF

ZINC39375205

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 12 Yes

Popular Name: 1H-Indole, 7-methoxy-3-methyl- 1H-Indole, 7-methoxy-3-methyl-

Find On: PubMed — Wikipedia — Google

CAS Number: 83696-96-2

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) 2.54 4.49 -6.06 1 2 0 25 161.204 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0555537A3; US5496928; US5614498 IBM Patent Data

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