UCSF

ZINC04097543

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 13 No

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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) -2.77 -9.64 -43.48 4 7 -1 130 193.131 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 134 - 140 Acros Organics
Melting_Point 134-138? Alfa-Aesar
Melting_Point 134-138° Alfa-Aesar
Mp [°C] 158 - 162 Acros Organics
ALOGPS_SOLUBILITY 2.95e+02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
UniProt Database Links ABHDA_BOVIN; ABHDA_HUMAN; ABHDA_MOUSE; ABHDA_PONAB; ABHDA_RAT; AGUA_ASPCL; AGUA_ASPFC; AGUA_ASPFN; AGUA_ASPFU; AGUA_ASPNC; AGUA_ASPNG; AGUA_ASPOR; AGUA_ASPTN; AGUA_ASPTU; AGUA_EMENI; AGUA_HYPJE; AGUA_NEOFI; DSE_BOVIN; DSE_HUMAN; DSE_MOUSE; GAR1_HYPJE; GLA ChEBI
UniProt Database Links AGUA_ASPNG; AK1A1_HUMAN; DSE_BOVIN; DSE_HUMAN; DSE_MOUSE; GLAK1_ARATH; GLAK2_ARATH; GLCE_BOVIN; GLCE_CAEEL; GLCE_HUMAN; GLCE_MOUSE; GLDH_BRAOL; UCDH_STRA3; UCDH_STRP1; UCDH_STRR6; UGL_BACGL ChEBI
Melting_Point ca 158? dec. Alfa-Aesar
Melting_Point ca 158° dec. Alfa-Aesar
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
Target Interferon alpha/beta receptor 2(P48551) Herbal Ingredients Targets
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Patent Database Links US2003096765 ChEBI
Patent Database Links WO2006002125 ChEBI
Hazard XI: Irritant Acros Organics

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