UCSF

ZINC09738387

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2007 18 Yes

Popular Name: 4-(5,6,7,8,9,10-hexahydro[1,2,4]triazolo[4,3-a]azocin-3-yl)aniline 4-(5,6,7,8,9,10-hexahydro[1,2,4]…

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CAS Number: 923803-82-1

Other Names:

MFCD08444440

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) 2.35 6.59 -12.36 2 4 0 57 242.326 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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