UCSF

ZINC19832299

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 No

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

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Other Names:

MFCD01064536

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) 6.22 11.42 -12.74 1 5 0 64 430.529 4 ↓
Ref Reference (pH 7) 6.22 10.09 -12.42 1 5 0 64 430.529 4 ↓
Lo Low (pH 4.5-6) 6.22 10.53 -29.61 2 5 1 65 431.537 4 ↓
Lo Low (pH 4.5-6) 6.22 11.63 -27.72 2 5 1 65 431.537 4 ↓

Activity (Go SEA)

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