UCSF

ZINC02268028

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 14 Yes

Popular Name: 1H-Benzimidazole, 1-pentyl- (9CI) 1H-Benzimidazole, 1-pentyl- (9CI)

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CAS Number: 126401-68-1

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) 3.44 1.49 -8 0 2 0 17 188.274 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5136099; US5183942; US5288761 IBM Patent Data

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