UCSF

ZINC44830118

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 26 No

Popular Name: (2-Methyl-4,5-dihydrobenzo[b]imidazo[4,5-d]azepin-6(1H)-yl)(4-nitrophenyl)methanone (2-Methyl-4,5-dihydrobenzo[b]imi…

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CAS Numbers: 168626-71-9 , [168626-71-9]

Other Names:

MFCD16036303

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) 3.01 10.22 -39.19 2 7 1 96 349.37 2 ↓
Mid Mid (pH 6-8) 3.01 9.8 -12.89 1 7 0 95 348.362 2 ↓

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