UCSF

ZINC08078164

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 9 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18161-11-0 , 2305-79-5 , 271-44-3 , [18161-11-0] , [2305-79-5]

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) 1.49 3.38 -5.37 1 2 0 29 122.171 0 ↓
Ref Reference (pH 7) 1.49 3.35 -4.72 1 2 0 29 122.171 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 140-142?/2mm Alfa-Aesar
Boiling_Point 140-142°/2mm Alfa-Aesar
Melting_Point 80-84? Alfa-Aesar
Melting_Point 80-84° Alfa-Aesar
MP 81 - 83 Enamine Building Blocks
MP 81...83 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0949238A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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