UCSF

ZINC00967256

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 13 Yes

Popular Name: 2,3,4,9-tetrahydro-1H-carbazole 2,3,4,9-tetrahydro-1H-carbazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1775-86-6 , 8/1/942 , 942-01-8 , [942-01-8]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.34 6.97 -4.87 1 1 0 16 171.243 0 ↓

Vendor Notes

Note Type Comments Provided By
mp 118 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 118-120? Alfa-Aesar
Melting_Point 118-120° Alfa-Aesar
MP 119 TCI
BP 186 / 10 TCI
Boiling_Point 325-330? Alfa-Aesar
Boiling_Point 325-330° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0033797A1; EP0042592A1; EP0042593A1; EP0115607A1; EP0119161A2; EP0310179A2; EP0555824A1; EP0731092A1; EP0731092B1; EP0804416A1; EP0970694A3; EP0970954A1; US3948939; US3959309; US3976779; US3992392; US4009181; US4014890; US4057640; US4062864; US4067875 IBM Patent Data
PUBCHEM_PATENT_ID EP0115607A1; US4547576; US4618614; US4698351 IBM Patent Data
PUBCHEM_PATENT_ID EP0340010A2; EP0340010B1; EP0617052B1; EP0625507A2; EP0625507B1; EP0724592B1; EP0792371A1; EP0997783A3; US5102905; US5391556; US5543417; US5621010; US5719158; US5739137; US5817724; US5872126; US5910497; US5935968; US5945412; US6022655; WO1995011254A1; WO1 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.