UCSF

ZINC78587988

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2012 7 Yes

Popular Name: Aminopyrine Aminopyrine

Find On: PubMed — Wikipedia — Google

CAS Number: [58-15-1]

Other Names:

MFCD00003142

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) 0.32 -0.38 -3.63 2 2 0 35 97.117 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0388977A2; EP0758647A1; EP0758647B1; US4284649; US5719181; US5990114 IBM Patent Data
PUBCHEM_PATENT_ID EP0665825A1; EP0665825B1 IBM Patent Data
PUBCHEM_PATENT_ID EP0666852A1; EP0666852B1; US5468857; WO2000008000A1; WO2000010971A1 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.