UCSF

ZINC09156716

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 20 Yes

Other Names:

MFCD08691344

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) 0.08 2.81 -43.93 2 8 -1 127 271.212 3
Mid Mid (pH 6-8) 0.08 3.31 -35.79 3 8 0 128 272.22 3

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.