UCSF

ZINC13406321

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 16 No

Popular Name: 2-{[(4-methylphenyl)imino]methyl}phenol 2-{[(4-methylphenyl)imino]methyl…

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CAS Number: 782-76-3

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) 3.86 6.08 -6.76 1 2 0 33 211.264 2 ↓
Ref Reference (pH 7) 3.86 4.89 -6.78 1 2 0 33 211.264 2 ↓
Hi High (pH 8-9.5) 3.86 5.66 -41.33 0 2 -1 35 210.256 2 ↓
Hi High (pH 8-9.5) 3.86 6.86 -49.89 0 2 -1 35 210.256 2 ↓
Lo Low (pH 4.5-6) 3.86 5.32 -31.35 2 2 1 34 212.272 2 ↓
Lo Low (pH 4.5-6) 3.86 6.59 -29.01 2 2 1 34 212.272 2 ↓

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