UCSF

ZINC58041146

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 20 Yes

Other Names:

MFCD18089614

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) 1.55 5.49 -130.04 4 5 2 62 287.448 6
Mid Mid (pH 6-8) 1.55 5.03 -35 3 5 1 60 286.44 6
Mid Mid (pH 6-8) 1.55 3.83 -49.38 3 5 1 60 286.44 6

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% )