UCSF

ZINC00966806

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2004 9 Yes

Popular Name: Thieno[2,3-c]pyridine Thieno[2,3-c]pyridine

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CAS Numbers: 272-12-8 , 52079-23-9 , 8/12/272 , [272-12-8]

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) 1.81 -0.31 -4.92 0 1 0 12 135.191 0 ↓
Lo Low (pH 4.5-6) 1.81 -0.18 -30.74 1 1 1 14 136.199 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999062908A2; WO2000075145A1 IBM Patent Data

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