UCSF

ZINC37489775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 19 Yes

Other Names:

MFCD13234038

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) 2.84 4.89 -3.81 1 3 0 27 280.799 2
Mid Mid (pH 6-8) 2.84 7.05 -34.21 2 3 1 28 281.807 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 99 - 101 Enamine Building Blocks
MP 99...101 Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )

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