UCSF

ZINC02082966

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 31 No

Popular Name: 5-(2-hydroxy-3-methoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-hydroxy-3-methoxybenzyliden…

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Other Names:

MFCD01159925

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) 6.54 11.96 -13.36 1 5 0 64 430.529 4 ↓
Hi High (pH 8-9.5) 6.54 12.89 -51.17 0 5 -1 67 429.521 4 ↓
Lo Low (pH 4.5-6) 6.54 12.26 -26.86 2 5 1 65 431.537 4 ↓

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

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