UCSF

ZINC44248729

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 Yes

Other Names:

MFCD06212865

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) -0.43 2.04 -106.73 5 4 2 60 194.282 2
Hi High (pH 8-9.5) -0.43 0.71 -45.91 4 4 1 56 193.274 2
Lo Low (pH 4.5-6) -0.43 2.51 -186.49 6 4 3 62 195.29 2

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% )