UCSF

ZINC37381804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 10 Yes

Other Names:

MFCD12068346

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 3.96 -44.21 3 1 1 28 154.258 1
Mid Mid (pH 6-8) 1.55 3.65 -2.55 2 1 0 26 153.25 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% )

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