UCSF

ZINC01848685

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 20 Yes

Popular Name: Hexaconazole Hexaconazole

Find On: PubMed — Wikipedia — Google

CAS Number: 79983-71-4

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) 3.71 8.94 -6.53 1 4 0 51 314.216 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95%min£¨HPLC£© APIChem
PUBCHEM_PATENT_ID US5532260; WO2000005955A1 IBM Patent Data

Activity (Go SEA)

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