UCSF

ZINC71790871

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 13 No

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) -0.93 -2.86 -49.01 5 5 1 86 184.219 1
Hi High (pH 8-9.5) -0.74 -5.39 -54.85 4 5 0 92 183.211 1

Vendor Notes

Note Type Comments Provided By
MP 264 - 266 Enamine Building Blocks
MP 264...266 Enamine Building Blocks
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.