UCSF

ZINC32915043

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 11 Yes

Popular Name: 4-(1H-1,2,4-triazol-1-yl)piperidine 4-(1H-1,2,4-triazol-1-yl)piperidine

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CAS Numbers: 158655-26-6 , 787640-25-9

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) -0.72 4.39 -52.45 2 4 1 47 153.209 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 69 - 71 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 97 - 99 Enamine Building Blocks
MP 97...99 Enamine Building Blocks
PUBCHEM_PATENT_ID US5760058 IBM Patent Data

Activity (Go SEA)

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