UCSF

ZINC65532191

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 No

Popular Name: 3-bromo-N-(2-chloro-5-nitrobenzylidene)-4-methylaniline 3-bromo-N-(2-chloro-5-nitrobenzy…

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Other Names:

MFCD00584375

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) 2.62 5.77 -36.13 2 4 1 60 305.423 4 ↓
Hi High (pH 8-9.5) 2.62 5.32 -17.52 1 4 0 59 304.415 4 ↓

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

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