UCSF

ZINC00403992

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 Yes

Popular Name: 4-(2-Aminoethyl)benzoic acid hydrochloride 4-(2-Aminoethyl)benzoic acid hyd…

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CAS Numbers: 1199-69-5 , 60531-36-4 , [1199-69-5] , [60531-36-4]

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) 0.83 2.94 -89.88 3 3 0 68 165.192 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 297 - 299 Enamine Building Blocks
MP 297...299 Enamine Building Blocks
MP 306 - 308 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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