UCSF

ZINC00895071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 8 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) -1.72 2.42 -35.74 2 3 0 57 115.132 1

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 14KD_DAUCA; AACL_AGRT5; AAP1_ARATH; AAP6_ARATH; AB1IP_HUMAN; AB1IP_MOUSE; ACR2A_ACTEQ; ACR2_ACTEQ; ACTP1_SAGRO; ADT1_ANOGA; ADT1_ARATH; ADT1_BOVIN; ADT1_GOSHI; ADT1_HUMAN; ADT1_MAIZE; ADT1_MOUSE; ADT1_RABIT; ADT1_RAT; ADT1_SOLTU; ADT1_WHEAT; ADT1_YEAST; A ChEBI
Mp [°C] 208 - 210 Acros Organics
MP 208 °C (dec.)(lit.) Indofine
Melting_Point 213-215? dec. Alfa-Aesar
MP 213-215° dec Matrix Scientific
Melting_Point 213-215° dec. Alfa-Aesar
MP 220-226°(dec.) Oakwood Chemical
Mp [°C] 223 Acros Organics
MP 223 - 225 Enamine Building Blocks
MP 223...225 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% APIChem
Purity 98% Fluorochem
Purity 99% Fluorochem
Purity >98% Fluorochem
Melting_Point ca 209? dec. Alfa-Aesar
Melting_Point ca 209° dec. Alfa-Aesar
UniProt Database Links DAPDH_URETH; DPDH_PYRIL; GLOX_BACSU; OXDA_HUMAN; P3H1_STRSQ; PRAC_CLOD6; PRAC_CLODI; PRCMA_TRYCC; PRCMB_TRYCC; PRDA_CLOSD; PRDB_CLOSD; PROT2_ARATH ChEBI
Patent Database Links EP0898963; EP0933365; EP0971025; EP1043322; EP1219634; EP1304323; EP1323419; EP1323420; EP1338588; EP1364941; EP1496060; EP1532983; EP1541585; EP1543735; EP1552826; EP1559718; EP1561466; EP1566181; EP1571159; EP1586578; EP1586581; EP1586625; EP1595890; EP ChEBI
Patent Database Links EP1074550; EP1452532; EP1586583; US2004014677; US2006122124; US2007197577; US2007265326; WO2005026129; WO2005054429; WO2006059945; WO2007099171; WO2008135578 ChEBI
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Hygroscopic Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.