UCSF

ZINC00896156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 8 Yes

CAS Numbers: 17498-50-9 , 516-06-3 , 640-68-6 , 72-18-4 , [516-06-3] , [640-68-6]

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) -1.91 1.56 -38.01 3 3 0 68 117.148 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 283.5 - 285 Acros Organics
Melting_Point 295? dec. Alfa-Aesar
Melting_Point 295° dec. Alfa-Aesar
UniProt Database Links 2ENR_CLOTY; 3HID1_ARATH; 3HID2_ARATH; 3HID3_ARATH; 3HIDH_ARATH; 3HIDH_BOVIN; 3HIDH_CAEEL; 3HIDH_DICDI; 3HIDH_DROME; 3HIDH_HUMAN; 3HIDH_MESAU; 3HIDH_MOUSE; 3HIDH_PONAB; 3HIDH_RABIT; 3HIDH_RAT; 4F2_MOUSE; AAAA_EMENI; AAAA_PENCH; AAP1_ARATH; AAP5_ARATH; ACAD ChEBI
Mp [°C] 302 - 303 Acros Organics
SOLUBILITY 56 g/L (20°C) Indofine
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
MP >295 °C (subl.)(lit.) Indofine
MP >295°(sub.) Oakwood Chemical
Melting_Point ca 296? subl. Alfa-Aesar
Melting_Point ca 296° subl. Alfa-Aesar
UniProt Database Links CONO_CONGA; CONO_CONMU; DAPDH_URETH; GLOX_BACSU ChEBI
Patent Database Links EP0806203; EP0806411; EP0811599; EP0811600; EP0898963; EP0922699; EP0933365; EP1028125; EP1113008; EP1114822; EP1123929; EP1132380; EP1182199; EP1219634; EP1229029; EP1323419; EP1323420; EP1336604; EP1338588; EP1348759; EP1364941; EP1422218; EP1496060; EP ChEBI
Patent Database Links EP1422218; EP1586583; EP1870419; US2004034080; US2005154185; US2007208055; WO2006024501; WO2007117565; WO2007126358; WO2007129083 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Notes USP, pyrogen free Apollo Scientific Bioactives

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