UCSF

ZINC44136953

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 15 Yes

Popular Name: (S)-1-Boc-2-Methyl-[1,4]diazepane (S)-1-Boc-2-Methyl-[1,4]diazepane

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CAS Numbers: 1035226-84-6 , 1260422-99-8 , 194032-32-1 , [1035226-84-6]

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) 1.27 5.01 -42.92 2 4 1 46 215.317 2 ↓

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.