UCSF

ZINC67983121

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 24 Yes

Popular Name: 3-{[(1-phenylethyl)imino]methyl}-1,2-benzenediol 3-{[(1-phenylethyl)imino]methyl}…

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Other Names:

MFCD00591826

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) 1.55 6.24 -36.15 2 6 1 57 334.488 4 ↓
Lo Low (pH 4.5-6) 1.55 6.81 -35.71 2 6 1 57 334.488 4 ↓

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

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