UCSF

ZINC06550333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 18 Yes

Other Names:

MFCD07339165

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) 3.99 4.94 -9.89 2 4 0 62 324.565 1
Mid Mid (pH 6-8) 3.99 4.51 -38.72 1 4 -1 60 323.557 1
Mid Mid (pH 6-8) 3.99 5 -7.06 2 4 0 62 324.565 1
Mid Mid (pH 6-8) 3.99 5.29 -110.81 0 4 -2 63 322.549 1
Lo Low (pH 4.5-6) 3.99 -3.55 -34.9 3 4 1 63 325.573 1

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% )