UCSF

ZINC34144296

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 17 Yes

Popular Name: (S)-Benzyl 2,6-diaminohexanoate dihydrochloride (S)-Benzyl 2,6-diaminohexanoate …

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CAS Numbers: 16142-09-9 , 16259-78-2 , [16142-09-9]

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) 0.48 4.02 -105.92 6 4 2 82 238.331 8 ↓
Hi High (pH 8-9.5) 0.48 3.68 -47.83 5 4 1 80 237.323 8 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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