UCSF

ZINC01092275

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 12 Yes

CAS Numbers: 259-79-0 , [259-79-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.67 8.41 -6.24 0 0 0 0 152.196 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 109 - 112 Acros Organics
mp 114 - 115 MolMall (formerly Molecular Diversity Preservation International)
Patent Database Links EP1310492; EP1380556; EP1447666; EP1508321; EP1635220; US2002019440; US2002165206; US2003105353; US2003158259; US2004265248; US2005004203; US2005019281; US2005042771; US2005272740; US2006142281; US2008200558; US2008221218; WO2006114377; WO2006134051; WO20 ChEBI
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
Hazard N: Dangerous for the environment Acros Organics
UniProt Database Links NOX4_HUMAN; NOX4_MOUSE; NOX4_PONAB; NOX4_RAT; NOX5_HUMAN; PGA3_YEAST; RBOHB_SOLTU; RBOHD_ARATH; RBOHF_ARATH ChEBI
P phrase P273: Avoid release to the environment Acros Organics
R phrase R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes.; S29: Do not empty into drains.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
PUBCHEM_PATENT_ID WO2000035942A1 IBM Patent Data

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

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