UCSF

ZINC22034251

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 32 Yes

Popular Name: N,N,N',N'-Tetrakis(2-pyridylMethyl)ethylenediaMine N,N,N',N'-Tetrakis(2-pyridylMeth…

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CAS Numbers: 16858-02-9 , [16858-02-9]

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) 1.29 10.67 -38.99 1 6 1 59 425.56 11 ↓
Mid Mid (pH 6-8) 1.29 11.11 -100.87 2 6 2 60 426.568 11 ↓
Lo Low (pH 4.5-6) 1.29 11.2 -171.04 3 6 3 62 427.576 11 ↓

Vendor Notes

Note Type Comments Provided By
MP 112 TCI

Activity (Go SEA)

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