UCSF

ZINC01734290

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 9 Yes

Popular Name: 4,5,6,7-Tetrahydro-1H-benzo[d]imidazole 4,5,6,7-Tetrahydro-1H-benzo[d]im…

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CAS Numbers: 225647-12-1 , 3752-24-7 , 51-17-2 , [3752-24-7]

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) 1.17 4.46 -7.2 1 2 0 29 122.171 0 ↓
Mid Mid (pH 6-8) 1.17 4.92 -30.63 2 2 1 30 123.179 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0034116A2; US4363808 IBM Patent Data
PUBCHEM_PATENT_ID EP1032569A1; WO1999025710A1 IBM Patent Data

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

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