UCSF

ZINC08700118

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 15 Yes

Popular Name: 5-p-Tolyl-isoxazole-4-carboxylic acid 5-p-Tolyl-isoxazole-4-carboxylic…

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CAS Number: 887408-19-7

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) 2.29 2.15 -46.3 0 4 -1 66 202.189 2 ↓

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