UCSF

ZINC00895455

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 9 Yes

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) -2.64 -4.3 -42.93 3 4 0 76 131.131 1

Vendor Notes

Note Type Comments Provided By
MP 104-107 °C Indofine
MP 119 - 121 Enamine Building Blocks
MP 119...121 Enamine Building Blocks
Mp [°C] 243 Acros Organics
MP 243 - 245 Enamine Building Blocks
MP 243...245 Enamine Building Blocks
Melting_Point 243? dec. Alfa-Aesar
Melting_Point 243° dec. Alfa-Aesar
MP 249 - 251 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
UniProt Database Links ADIPO_BOVIN; ADIPO_HUMAN; ADIPO_MOUSE; ADRB2_BOVIN; ADRB2_CANFA; ADRB2_CAVPO; ADRB2_FELCA; ADRB2_HUMAN; ADRB2_MACMU; ADRB2_MESAU; ADRB2_MOUSE; ADRB2_PIG; ADRB2_RAT; ADRB2_TSCTR; AGO2_BOVIN; AGO2_HUMAN; AGO2_MOUSE; AGO2_RABIT; AGO2_RAT; AGP10_ARATH; AGP12_ ChEBI
Patent Database Links EP1304323; EP1354584; EP1356811 ChEBI
UniProt Database Links HPBD_PARDP; HPBD_PELBH; HYPF_PARDP; HYPRE_BRUA1; HYPRE_BRUA2; HYPRE_BRUAB; HYPRE_BRUC2; HYPRE_BRUME; HYPRE_BRUO2; HYPRE_BRUSI; HYPRE_BRUSU; HYPRE_BURCH; HYPRE_BURPS; HYPRE_PSEAE; P3H1_STRSQ ChEBI
UniProt Database Links HYPF_PARDP; HYPRE_BRUA1; HYPRE_BRUA2; HYPRE_BRUAB; HYPRE_BRUC2; HYPRE_BRUME; HYPRE_BRUO2; HYPRE_BRUSI; HYPRE_BRUSU; HYPRE_BURCH; HYPRE_BURPS; HYPRE_PSEAE ChEBI
Warnings IRRITANT Matrix Scientific
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S24/25: Avoid contact with skin and eyes. Acros Organics

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