UCSF

ZINC04521854

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 9 Yes

Popular Name: 4,5,6,7-Tetrahydro-1H-indole 4,5,6,7-Tetrahydro-1H-indole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13618-91-2 , [13618-91-2]

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) 2.03 0.01 -3.63 1 1 0 15 121.183 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0122157A2; EP0521827A1; EP0521827B1; EP0604368A1; EP0604368B1; EP0617052B1; EP0708760A1; EP0948257A1; EP0968209A1; US4492694; US5670497; US5753652; US5817724; US5880139; US5888992; US5955480; US6011048; US6034106; US6043253; WO1995002582A1; WO1995007269 IBM Patent Data
PUBCHEM_PATENT_ID EP0236734A2; EP0329013A2; EP0332008A2; EP0370454A2; EP0370454B1; EP0373497A2; EP0373549A2; EP0373549B1; EP0374097A2; EP0374098A2; EP0391179A2; EP0391180A2; EP0394853A1; EP0410278A1; EP0410278B1; EP0416373A3; EP0428849A2; EP0428849A3; EP0435059A1; EP043505 IBM Patent Data

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