UCSF

ZINC38342256

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 19 Yes

Popular Name: 1-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid 1-(4-chlorophenyl)-4-(2-hydroxye…

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CAS Number: 1210492-11-7

Other Names:

MFCD13196005

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) 1.07 3.43 -38.86 2 6 -1 98 281.675 4 ↓
Ref Reference (pH 7) 1.07 3.48 -39.09 1 6 -1 93 281.675 4 ↓
Ref Reference (pH 7) 1.07 3.46 -39.07 1 6 -1 93 281.675 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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