UCSF

ZINC04859359

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 15 Yes

Popular Name: 3-(5-Amino-1-methyl-1H-benzoimidazol-2-yl)-propan-1-ol dihydrochloride 3-(5-Amino-1-methyl-1H-benzoimid…

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CAS Numbers: 1158279-25-4 , [1158279-25-4]

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) 0.47 1.51 -12.8 3 4 0 64 205.261 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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

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