UCSF

ZINC23038690

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 27 No

Popular Name: N-(2-bromophenyl)-2-[methyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxo-ethyl]amino]acetamide N-(2-bromophenyl)-2-[methyl-[2-[…

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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) 3.28 10.3 -60.8 2 8 1 100 436.286 7 ↓
Hi High (pH 8-9.5) 3.28 8.04 -21.4 1 8 0 98 435.278 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.