UCSF

ZINC02038822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

Popular Name: 2-Methyl-1H-indene 2-Methyl-1H-indene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 165688-64-2 , 2177-47-1 , [2177-47-1]

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) 3.02 6.98 -3.39 0 0 0 0 130.19 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 234-237? Alfa-Aesar
Melting_Point 234-237° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0723971A2; EP0842939A1; US5962359; US6114556 IBM Patent Data

Activity (Go SEA)

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

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