UCSF

ZINC03885904

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 20 Yes

Popular Name: 12-Oxo-6,7,8,9,10,12-hexahydro-azepino[2,1-b]quinazoline-3-carboxylic acid methyl ester 12-Oxo-6,7,8,9,10,12-hexahydro-a…

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CAS Number: 885458-92-4

Other Names:

MFCD06660662

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) 2.39 1.09 -10.94 0 5 0 61 272.304 2 ↓

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% )