UCSF

ZINC03263561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 28 Yes

Other Names:

MFCD02720542

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) 2.04 -2.64 -65.01 1 8 -1 113 400.436 5
Hi High (pH 8-9.5) 2.04 -2.15 -126.78 0 8 -2 115 399.428 5

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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