UCSF

ZINC00002234

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 13 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) -1.71 1.18 -36.09 4 4 0 88 181.191 3

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 123R_IIV6; 1433B_BOVIN; 1433B_HUMAN; 1433B_MACFA; 1433B_MOUSE; 1433B_PONAB; 1433B_RAT; 1433B_SHEEP; 1A110_ARATH; 1A112_ARATH; 2ABB_RAT; 3BP2_HUMAN; 3BP2_MOUSE; 41_BOVIN; 41_HUMAN; 41_MOUSE; 4F2_HUMAN; 4F2_MOUSE; 4F2_RABIT; 4F2_RAT; 6DCS_SOYBN; 7B2_HUMAN ChEBI
Mp [°C] 310 - 314 Acros Organics
Melting_Point 310-314? Alfa-Aesar
Melting_Point 310-314° Alfa-Aesar
Mp [°C] 325 Acros Organics
MP 325 - 327 Enamine Building Blocks
MP 325...327 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
MP >300 °C(lit.) Indofine
Therapy amino acid, nutrient SMDC Pharmakon
Melting_Point ca 325? dec. Alfa-Aesar
Melting_Point ca 325° dec. Alfa-Aesar
UniProt Database Links DTD1_BOVIN; DTD1_HUMAN; DTD1_MOUSE; DTD2_DANRE; DTD2_HUMAN; DTD2_MOUSE; DTDA_AERPE; DTDA_ARCFU; DTDA_CALMQ; DTDA_CENSY; DTDA_DESK1; DTDA_HALLT; DTDA_HALMA; DTDA_HALS3; DTDA_HALSA; DTDA_HALWD; DTDA_HYPBU; DTDA_IGNH4; DTDA_KORCO; DTDA_META3; DTDA_METAC; DTD ChEBI
Patent Database Links EP0787722; EP0795556; EP0889037; EP0889042; EP0898963; EP0922699; EP0933365; EP0971025; EP1054004; EP1057830; EP1106609; EP1113008; EP1123929; EP1132380; EP1176140; EP1219634; EP1247803; EP1270571; EP1284260; EP1310488; EP1321467; EP1323419; EP1323420; EP ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
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
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
Notes Ph.Eur, pyrogen free Apollo Scientific Bioactives
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. 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
Hazard XI: Irritant Acros Organics

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