UCSF

ZINC00057138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

CAS Numbers: 120-44-5 , [120-44-5]

Download: MOL2 SDF SMILES Flexibase

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) 3.38 2.04 -10.81 0 3 0 35 256.301 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 109-113? Alfa-Aesar
Melting_Point 109-113° Alfa-Aesar
MP 110 - 112 Enamine Building Blocks
MP 110...112 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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