UCSF

ZINC62965554

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 Yes

Other Names:

MFCD18260579

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) 0.94 4.76 -79.05 4 4 2 48 208.309 2
Hi High (pH 8-9.5) 0.94 1.89 -5.22 2 4 0 45 206.293 2
Mid Mid (pH 6-8) 0.94 2.37 -26.97 3 4 1 47 207.301 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% )

No pre-computed analogs available. Try a structural similarity search.