UCSF

ZINC65533608

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Popular Name: 3-{[(2-hydroxy-1-naphthyl)methylene]amino}benzonitrile 3-{[(2-hydroxy-1-naphthyl)methyl…

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Other Names:

MFCD00977811

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) -0.70 1.63 -39.37 2 7 1 66 325.433 5 ↓
Hi High (pH 8-9.5) -0.70 -0.63 -11.06 1 7 0 65 324.425 5 ↓
Lo Low (pH 4.5-6) -0.70 3.74 -103.53 3 7 2 68 326.441 5 ↓

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

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