UCSF

ZINC00388396

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) -1.38 2.29 -37.37 3 3 0 68 131.175 3

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 104K_THEAN; 194K_TRVSY; 2ABB_RAT; 2ENR_CLOTY; 404L_IIV6; 4F2_HUMAN; 4F2_MOUSE; 4F2_RABIT; 4F2_RAT; 7LESS_DROME; A145_VACCC; A145_VACCW; A145_VAR67; A2GL_HUMAN; A60DA_DROME; AAC1_DICDI; AAM_RHOER; AAP6_ARATH; AAR2_YEAST; AB13C_ARATH; AB140_YEAST; ABAA_EMEN ChEBI
Mp [°C] 293 - 296 Acros Organics
MP 293...296 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Purity 99% APIChem
Mp [°C] >300 Acros Organics
MP >300 °C(lit.) Indofine
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
UniProt Database Links ANF39_ORNAN; CI1B1_CONFI; CI1BC_CONRA; CI1BI_CONRA; CI1BU_CONRA; CI1BW_CONRA; CI1BX_CONRA; COW2_CONPU; COW3_CONTE; COW_CONIN; DAPDH_LYSSH; DAPDH_URETH; LAT1_RAT ChEBI
Melting_Point ca 294? subl. Alfa-Aesar
Melting_Point ca 294° subl. Alfa-Aesar
Patent Database Links EP0898963; EP0922699; EP0933365; EP1113008; EP1123929; EP1132380; EP1219634; EP1336604; EP1338588; EP1348759; EP1364941; EP1422218; EP1496116; EP1512696; EP1527782; EP1536009; EP1541140; EP1541141; EP1550720; EP1552826; EP1557173; EP1557466; EP1557469; EP ChEBI
Patent Database Links EP1338588; EP1422218; EP1586583; EP1870419; GB1320104; US2004034080; US2007191592; WO2007106938 ChEBI
Warnings IRRITANT Matrix Scientific
Notes Ph.Eur, Pyrogen free Apollo Scientific Bioactives
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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