UCSF

ZINC18088118

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 15 Yes

Popular Name: 3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid 3-(2-hydroxyphenyl)-1H-pyrazole-…

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CAS Numbers: 1296272-87-1 , 46393-99-1

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) 1.54 2.56 -45.06 2 5 -1 89 203.177 2 ↓
Hi High (pH 8-9.5) 1.54 3.24 -102.25 1 5 -2 92 202.169 2 ↓
Mid Mid (pH 6-8) 1.54 3.33 -102.43 1 5 -2 92 202.169 2 ↓
Mid Mid (pH 6-8) 1.54 2.47 -52.41 2 5 -1 89 203.177 2 ↓
Lo Low (pH 4.5-6) 1.32 2.18 -23.39 3 5 0 86 204.185 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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