UCSF

ZINC19594727

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 18 No

Popular Name: 1,4,7,10,13,16-Hexaazacyclooctadecane 1,4,7,10,13,16-Hexaazacyclooctad…

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CAS Numbers: 296-35-5 , 56187-09-8 , 58105-91-2

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) -3.22 -3.66 -183.43 9 6 3 86 261.438 0 ↓
Hi High (pH 8-9.5) -3.22 -5.08 -102.72 8 6 2 81 260.43 0 ↓
Hi High (pH 8-9.5) -3.22 -5.29 -102.99 8 6 2 81 260.43 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 149 TCI

Activity (Go SEA)

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