UCSF

ZINC00901647

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 12 Yes

Popular Name: QB-5321 QB-5321

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3327-64-8 , 6322-07-2 , [161168-87-2] , [6322-07-2]

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) -2.99 -6.2 -12.14 4 6 0 107 178.14 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 182 - 188 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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