UCSF

ZINC06534965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 14 Yes

Popular Name: 3-Hydroxyhippuric acid 3-Hydroxyhippuric acid

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CAS Number: 1637-75-8

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) -1.04 -3.07 -45.76 2 5 -1 89 194.166 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 174 - 176 Enamine Building Blocks
MP 174...176 Enamine Building Blocks
ALOGPS_SOLUBILITY 2.91e+00 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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