UCSF

ZINC65531313

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: 3-fluoro-4-methyl-N-(4-nitrobenzylidene)aniline 3-fluoro-4-methyl-N-(4-nitrobenz…

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Other Names:

MFCD00812560

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) 1.65 5.63 -50.82 3 7 1 96 341.439 7 ↓
Hi High (pH 8-9.5) 1.65 5.15 -12.78 2 7 0 94 340.431 7 ↓
Lo Low (pH 4.5-6) 1.65 5.99 -104.94 4 7 2 97 342.447 7 ↓
Lo Low (pH 4.5-6) 1.65 6.35 -98.99 4 7 2 97 342.447 7 ↓

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Rings

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

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