UCSF

ZINC37866091

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2009 24 No

Popular Name: Pyritinol Pyritinol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10049-83-9 , 1098-97-1 , [10049-83-9] , [1098-97-1]

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) 0.88 0.86 -51.59 4 6 0 115 368.48 7 ↓
Hi High (pH 8-9.5) 0.88 0.03 -94.73 2 6 -2 112 366.464 7 ↓
Hi High (pH 8-9.5) 0.88 0.46 -65.46 3 6 -1 114 367.472 7 ↓
Hi High (pH 8-9.5) 0.88 -0.72 -49.35 3 6 -1 110 367.472 7 ↓
Mid Mid (pH 6-8) 0.88 -0.31 -32.43 4 6 0 111 368.48 7 ↓
Mid Mid (pH 6-8) 0.88 -1.49 -13.46 4 6 0 107 368.48 7 ↓
Lo Low (pH 4.5-6) 0.88 -0.67 -81.58 6 6 2 109 370.496 7 ↓

Vendor Notes

Note Type Comments Provided By
biological_use . ZereneX Building Blocks
Therapy cognition enhancer, nootropic SMDC Pharmakon
mechanism Promotes glucose transfer across blood/brain barrier IBScreen Bioactives
biological_use Psychostimulant IBScreen Bioactives
biological_use Psychotonic IBScreen Bioactives
biological_use Sedative, improves memory and cognitive functions IBScreen Bioactives IBScreen Bioactives

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