UCSF

ZINC65533648

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: N-[(4-methoxy-1-naphthyl)methylene]-2-methyl-3-nitroaniline N-[(4-methoxy-1-naphthyl)methyle…

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Other Names:

MFCD01042738

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) -0.35 4.39 -55.55 2 7 1 74 354.434 2 ↓
Hi High (pH 8-9.5) 0.11 0.79 -61.79 0 7 -1 76 352.418 2 ↓
Mid Mid (pH 6-8) -0.35 4.19 -50.67 2 7 1 74 354.434 2 ↓
Mid Mid (pH 6-8) -0.35 1.95 -21.55 1 7 0 73 353.426 2 ↓

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Rings

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

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