UCSF

ZINC41056799

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 Yes

Other Names:

MFCD14627790

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) 0.55 3.24 -45.06 3 4 1 57 201.29 5
Hi High (pH 8-9.5) 0.55 2.85 -4.88 2 4 0 56 200.282 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% )