UCSF

ZINC13688238

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 No

Popular Name: N-(4-methylphenyl)-2-{4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazono]-1,3-thiazolidin-5-yl}acetamide N-(4-methylphenyl)-2-{4-oxo-2-[(…

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Other Names:

MFCD03620993

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) 1.16 4.78 -12.7 3 8 0 112 377.451 4 ↓
Ref Reference (pH 7) 1.16 4.86 -15.32 3 8 0 112 377.451 4 ↓
Ref Reference (pH 7) 1.16 4.83 -15.07 3 8 0 112 377.451 4 ↓
Ref Reference (pH 7) 1.16 4.75 -13.74 3 8 0 112 377.451 4 ↓
Hi High (pH 8-9.5) 0.79 2.82 -42.92 2 8 -1 118 376.443 4 ↓
Hi High (pH 8-9.5) 0.79 2.89 -46.08 2 8 -1 118 376.443 4 ↓

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