UCSF

ZINC02040970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 16 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 5.06 7.95 -1.95 1 1 0 20 222.372 7

Vendor Notes

Note Type Comments Provided By
Mp [°C] 75 Acros Organics
MP 75 °C Indofine
BP [°C] 114 (p=1 torr) Acros Organics
BP 146 / 12 TCI
Boiling_Point 263-266? Alfa-Aesar
Boiling_Point 263-266° Alfa-Aesar
Purity 95% Fluorochem
UniProt Database Links ACSS_MAIZE ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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