UCSF

ZINC02037537

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Substance Information

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

Popular Name: 2-Pentylthiophene 2-Pentylthiophene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4861-58-9 , [4861-58-9]

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) 3.96 1.2 -1.78 0 0 0 0 154.278 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 198? Alfa-Aesar
Boiling_Point 198° Alfa-Aesar
BP 204 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID WO1993007128A1 IBM Patent Data

Activity (Go SEA)

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