UCSF

ZINC12412812

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 28 No

Popular Name: 2-hydroxy-5-({[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid 2-hydroxy-5-({[3-methyl-5-oxo-1-…

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Other Names:

MFCD01919720

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) 4.95 9.09 -64.74 2 7 -1 107 439.662 4 ↓
Ref Reference (pH 7) 4.95 9.12 -53.79 2 7 -1 107 439.662 4 ↓
Lo Low (pH 4.5-6) 5.47 7.27 -62.32 3 7 0 112 440.67 4 ↓

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