UCSF

ZINC49694169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 9 No

Other Names:

MFCD14692593

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) 0.24 4.31 -39.88 1 2 1 22 128.195 0
Mid Mid (pH 6-8) 0.24 2.01 -4.27 0 2 0 20 127.187 0

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% )