UCSF

ZINC02390211

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 16 Yes

Popular Name: VALERYL SALYCILATE VALERYL SALYCILATE

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CAS Number: 64206-54-8

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) 3.17 8.91 -57 0 4 -1 66 221.232 6 ↓

Vendor Notes

Note Type Comments Provided By
therap COX-1 inhibitor MicroSource Spectrum

Activity (Go SEA)

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